Category: benzoxazole

In an article, author is Yoneyama-Hirozane, Mariko, once mentioned the application of 423-39-2, Name: Perfluorobutyliodide, Name is Perfluorobutyliodide, molecular formula is C4F9I, molecular weight is 345.9329, MDL number is MFCD00001062, category is benzoxazole. Now introduce a scientific discovery about this category.

Identification and Characterization of a New Series of Ghrelin O-Acyl Transferase Inhibitors

Ghrelin O-acyl transferase (GOAT; MBOAT4) catalyzes O-acylation at serine-3 of des-acyl ghrelin. Acyl ghrelin is secreted by stomach X/A-like cells and plays a role in appetite and metabolism. Therefore, GOAT has been expected to be a novel antiobesity target because it is responsible for acyl ghrelin production. Here, we report homogeneous time-resolved fluorescence (HTRF) and enzyme-linked immunosorbent assay (ELISA) methods utilizing human GOAT-expressing microsomes as a novel high-throughput assay system for the discovery of hit compounds and optimization of lead compounds. Hit compounds exemplified by compound A (2-[(2,4-dichlorobenzyl)sulfanyl]-1,3-benzoxazole-5-carboxylic acid) were identified by high-throughput screening using the HTRF assay and confirmed to have GOAT inhibitory activity using the ELISA. Based on the hit compound information, the novel lead compound (compound B, (4-chloro-6-{[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methoxy}-1-benzothiophen-3-yl)acetic acid) was synthesized and exhibited potent GOAT inhibition with oral bioavailability. Both the hit compound and lead compound showed octanoyl-CoA competitive inhibitory activity. Moreover, these two compounds decreased acyl ghrelin production in the stomach of mice after their oral administration. These novel findings demonstrate that GOAT is a druggable target, and its inhibitors are promising antiobesity drugs.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 372-38-3, Name is 1,3,5-Trifluorobenzene, formurla is C6H3F3. In a document, author is Celik, Ismail, introducing its new discovery. Safety of 1,3,5-Trifluorobenzene.

Evaluation of Activity of Some 2,5-Disubstituted Benzoxazole Derivatives against Acetylcholinesterase, Butyrylcholinesterase and Tyrosinase: ADME Prediction, DFT and Comparative Molecular Docking Studies

In this study, p-tert-butyl at position 2 and acetamide bridged 4-substituted piperazine/piperidine at position 5 bearing benzoxazole derivatives were evaluated for their in vitro inhibitory activity against AChE, BChE and Tyrosinase, which are important targets in reducing the adverse effects of Alzheimer’s disease. The most active 1 g inhibited the BChE at a concentration of 50 mu M by 54 +/- 0.75%. Molecular docking studies of the compounds against BChE (PDB: 4BDS) were performed with Schrodinger and AutoDock Vina and the results were compared. Schrodinger docking scores were found to be more consistent. Estimated ADME profiles and bioactivity scores of the compounds were calculated and found to be compatible with Lipinski and other limiting rules. Geometric optimization parameters, MEP analysis and HUMO and LUMO quantum parameters of the most active 1 g were calculated by using DFT/B3LYP theory and 6-311 G (d,p) base set and results was viewed.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 372-38-3 help many people in the next few years. Safety of 1,3,5-Trifluorobenzene.

Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

72752-81-9, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate, cas is 72752-81-9,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

To a suspension of Compound 2a (1 g, 4.78 mmol) in thionyl dichloride (5 mL) was added DMF (0.1 mL). The resulting solution was stirred for 15 min at 80C. The reaction solution was (0261) concentrated under vacuum. The crude was diluted with DCM and washed successively with saturated NaHC03 solution, water and brine. The residue was concentrated under vacuum after dried over anhydrous sodium sulfate. The residue was applied onto a silica gel column with ethyl acetate/petroleum ether (23 :77). This resulted in 520 mg (51%) of the title compound as a white solid.

The chemical industry reduces the impact on the environment during synthesis,72752-81-9,Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate,I believe this compound will play a more active role in future production and life.

Reference£º
Patent; HEPAGENE THERAPEUTICS, INC.; XU, Xiaodong; (104 pag.)WO2018/85148; (2018); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

81282-60-2, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 7-Aminobenzo[d]oxazol-2(3H)-one, cas is 81282-60-2,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

Step 4 3-Ethoxy-4-(2-oxo-2,3-dihydrobenzooxazol-7-ylamino)cyclobut-3-ene-1,2-dione A mixture of 0.247 g of 7-amino-3H-benzooxazol-2-one (1.6 mmol, 1 eq) and 0.36 ml of 3,4-diethoxycyclobut-3-ene-1,2-dione (2.5 mmol, 1.5 eq) in 9 ml of ethanol was stirred at ambient temperature for 2 days (formation of a precipitate). Ethanol was added in order to promote the fall of the precipitate, which was filtered off, washed with diethyl ether and dried under vacuum at 45 C. 0.35 g of product was obtained in the form of a light khaki solid. Yield=78%.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 7-Aminobenzo[d]oxazol-2(3H)-one, 81282-60-2

Reference£º
Patent; Musicki, Branislav; Aubert, Jerome; Boiteaux, Jean-Guy; Clary, Laurence; Rossio, Patricia; Schuppli-Nollet, Marlene; US2014/309208; (2014); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

132244-31-6, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 5-Bromobenzo[d]oxazole, cas is 132244-31-6,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

In the reaction flask, Under argon, a catalyst (9.9 mg, 0.025 mmol, 5 mol%), potassium tert-butoxide (0.0672 g, 0.6 mmol) DMF (3.0 ml), 5-bromobenzoxazole (99.01 mg, 0.5 mmol) was added to the carbon dioxide gas, and the reaction was stirred at 80 C for 18 hours under normal pressure. Cooled to 65 C, methyl iodide (93 mul, 1.5 mmol) was added, The reaction was stirred at 65 C for 1 hour. Cooled to room temperature, the reaction was terminated with deionized water, The reaction product was extracted with ethyl acetate and purified by column chromatography (Using a mixed solvent of ethyl acetate / petroleum ether in a volume ratio of 1:10 as a developing solvent) The yield was 85%.

The chemical industry reduces the impact on the environment during synthesis,132244-31-6,5-Bromobenzo[d]oxazole,I believe this compound will play a more active role in future production and life.

Reference£º
Patent; Soochow University (Suzhou); Sun Hongmei; Liu Ling; Zhu Fan; Zhou Qiaoyun; (10 pag.)CN106565623; (2017); A;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

5676-60-8, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 2-Methylbenzo[d]oxazol-6-amine, cas is 5676-60-8,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

The synthetic route for 1 was outlined in Scheme 1, and the detailed procedures were presented as follows: (a) To a solution of 2-amino-5-nitrophenol (7.70g, 50.0mmol) and pyridine (3.96g, 50.0mmol) in dry xylene (150mL) at 0C was added dropwise acetyl chloride (4.32g, 55.0mmol). The solution was stirred at ambient temperature for 2h. To above solution was added p-toluenesulfonic acid (1.72g, 10.0mmol), the solution was refluxed till no water was discharged. After cooling to room temperature, the solution was washed with water (100mL¡Á3) and a saturated solution of NaCl (50.0mL), respectively. The organic solution was collected and dried over Na2SO4, after evaporation of the solvent, the crude 2-methyl-6-nitrobenzoxazole (pale solid, 8.80g, 95% yield) was obtained for next step without purification. (b) To a solution of 13 2-methyl-6-nitrobenzoxazole (3.92g, 22.0mmol) in 14 methanol (60.0mL) at 70C was added 15 NH4Cl (11.77g, 220mmol) in 16 H2O (40.0mL) and Fe (4.48g, 80.0mmol). The mixture solution was stirred at 70C for 4h till the starting material disappeared (TLC detection). The mixture solution was cooled to ambient temperature and filtered, the solution was extracted with ethyl acetate (30.0mL¡Á3). The combined organic solution was dried over Na2SO4, after evaporation of the solvent, the crude 17 2-methylbenzoxazol-6-amine (2.77g, 85% yield) was obtained for next step reaction without purification. (c) To a solution of 2-methylbenzoxazol-6-amine (2.66g, 18.0mmol) in methanol (30.0mL) was added 18 formaldehyde (37%, 12mL, 144mmol) and 19 NaBH3CN (2.27g, 36.0mmol). The solution was stirred at ambient temperature for 36h till the starting material disappeared (TLC detection). The solution was poured into H2O (30.0mL), and the mixture solution was extracted with ethyl acetate (30.0mL¡Á3). The combined organic solution was dried over Na2SO4, the solution is concentrated and 20 2-methyl-6-(N, N-dimethylamino) benzoxazole (2.50g, 79% yield) is obtained by flash column chromatography (elute: petroleum ether / ethyl acetate=10 / 1, v/v, Rf =0.11).

The chemical industry reduces the impact on the environment during synthesis,5676-60-8,2-Methylbenzo[d]oxazol-6-amine,I believe this compound will play a more active role in future production and life.

Reference£º
Article; Qu, Cong; Gao, Zheng; Chen, Yi; Journal of Photochemistry and Photobiology A: Chemistry; vol. 361; (2018); p. 62 – 66;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

2382-96-9, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. Benzo[d]oxazole-2-thiol, cas is 2382-96-9,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

Example 1: Preparation of a benzoxazole sulfonamide compound A benzoxazole sulfonamide represented by compound c-6 in the below provided Scheme C, can be prepared as follows. The intermediate c-2 was prepared by adding 2-MERCAPTOBENZOXAZOLE (C-1 which is equal to compound of formula (1) above) (1200 g; 7.94 mol) to 8500 ml ethylacetate in a 20 L flask. Then 1420 g (10.29 mol) potassium carbonate was added at rt. iodomethane (1243 g; 8.76 mol) was added dropwise to this reaction mixture maintaining the internal temperature below 40C. This mixture was stirred for 24 hours while the internal temperature decreased to 20C. The reaction mixture was then treated with 4000 ml water and 138 G NH40H at rt for about 20 minutes. The organic layer was separated and filtered. The aqueous phase was extracted with 1200 ml ethylacetate. The organic layers were collected and washed with 1500 ml water. The organic phase was evaporated under reduced pressure until a final volume of about 2000ML. Magnesium sulphate was added and the mixture was filtered. The filtrate was evaporated under reduced pressure yielding 1288 g of the intermediate c-2 (98 % yield /HPLC purity 99.6 %).

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of Benzo[d]oxazole-2-thiol, 2382-96-9

Reference£º
Patent; TIBOTEC PHARMACEUTICALS LTD.; WO2005/30739; (2005); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

22876-19-3, In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 5-Chlorobenzo[d]oxazole-2(3H)-thione, cas is 22876-19-3,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

2-mercapto-5-chlorobenzoxazole (100 g, 0.54 mol) and 1200 ml of dichloromethane were added to a 3 L four-necked reaction flask, Stir, Oxalyl chloride (102.6 g, 0.81 mol) was added, After adding DMF 395 ml, Room temperature reaction for 30 minutes, Triethylamine (192 g, 1.89 mol) with 1- (tert-butyl carbamate)Ethylenediamine (103.7 g, 0.65 mol), Room temperature reaction for 1 hour. Add water 1200ml, Separate the organic layer, Dried under reduced pressure to obtain a solid-liquid mixture, Purification with acetonitrile / water gave a yellow solid 110 g, yield 65.5%

The chemical industry reduces the impact on the environment during synthesis,22876-19-3,5-Chlorobenzo[d]oxazole-2(3H)-thione,I believe this compound will play a more active role in future production and life.

Reference£º
Patent; Tianjin Pharmaceutical Institute Co., Ltd.; Kang Jiangpeng; Pan Yi; Chen Wei; Su Mujun; Fang Simeng; Tao Yong; (7 pag.)CN106632121; (2017); A;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

As a common heterocyclic compound, it belongs to benzoxazole compound, name is Benzo[d]oxazol-6-amine, and cas is 177492-52-3, its synthesis route is as follows.

5-(benzyloxy)-4-chloro-6-p-tolylpyrimidine (50 mg, 0.161 mmol) was dissolved in PhMe, to this was added benzo[d]oxazol-6-amine (23.7 mg, 1.1 eq), Pd(dba)2 (4.6 mg, 0.05 eq), t-BuONa (31 mg, 2 eq), and (+/-)-BINAP (15 mg, 0.15 eq). The mixture was degassed and heated at 115C overnight. The mixture was cooled to room temperature, diluted with EtOAc and washed with H2O. Preparative TLC gave 17 mg of the title compound.

177492-52-3, In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles.,177492-52-3 ,Benzo[d]oxazol-6-amine, other downstream synthetic routes, hurry up and to see

Reference£º
Patent; SCHERING CORPORATION; CHELLIAH, Mariappan, V.; CHACKALAMANNIL, Samuel; GREENLEE, William, J.; EAGEN, Keith, A.; GUO, Zhuyan; CLASBY, Martin, C.; XIA, Yan; JAYNE, Charles, L.; DWYER, Michael; KEERTIKAR, Kartik, M.; CHAN, Tin-Yau; WANG, Li; WO2011/17296; (2011); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

As a common heterocyclic compound, it belongs to benzoxazole compound, name is 5-Bromo-2-ethylbenzo[d]oxazole, and cas is 938458-80-1, its synthesis route is as follows.

The intermediate 12 22.0 g (97.3 mmol), Bis(pinacolato)diboron 49.4 g (194.6 mmol), Pd(dppf)Cl2.CH2Cl2 3.97 g (4.87 mmol), potassium acetate (KOAc) 19.0 g (291.9 mmol), and dioxane 486 mL were input into a one-neck 500 mL flask to obtain a mixture. Then, the mixture was refluxed and stirred at 100 C. for 12 hours. After completion of the reaction, the reaction product was subjected to distillation under reduced pressure to remove the solvent from the reaction product. A thus-resulting solid was dissolved in dichloromethane, and filtered using Celite, and washed with dichloromethane. A thus-resulting product was crystallized using hexane, to obtain a solid compound (intermediate 13) 18.0 g (yield: 67.7%).

938458-80-1, In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles.,938458-80-1 ,5-Bromo-2-ethylbenzo[d]oxazole, other downstream synthetic routes, hurry up and to see

Reference£º
Patent; LG Display Co., Ltd.; Ryu, Daewon; Kim, Dohan; Kang, Hyeseung; HAN, Sang Bae; Moon, Seong-Shik; KIM, Kyousic; (211 pag.)US2020/10460; (2020); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem