Category: benzoxazole

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 148893-10-1, Name is O-(7-Azabenzotriazol-1-yl)-N,N,N,N-tetramethyl uronium hexafluorophosphate, molecular formula is , belongs to benzoxazole compound. In a document, author is Fukushima, Kazuki, Application In Synthesis of O-(7-Azabenzotriazol-1-yl)-N,N,N,N-tetramethyl uronium hexafluorophosphate.

Environmental remediation through the recycling and upcycling of waste plastics is an urgent global concern. Accordingly, we herein demonstrate the organocatalyzed depolymerization of poly(ethylene terephthalate) (PET) with o-phenylenediamine (OPD) and 2-aminophenol (2AP) to form bis-benzimidazole and bis-benzoxazole, which can potentially be applied to the production of medicines, high-performance polymers, and organic electronics. Although high-temperature treatment at 190 degrees C was required, the neutral superbase 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) successfully facilitated two nucleophilic substitution reactions in one-pot, i.e., amidation or transesterification of PET followed by heterocycle formation to the amide or ester group. Theoretical studies with B3LYP density functional theory were performed for model reactions using methyl benzoate (MB) and OPD or 2AP. Consequently, we revealed that amidation favorably proceeds in the first depolymerization step and that the heterocycle formation predominantly results from nucleophilic attack to the amide intermediate by the anilinic NH2 or phenolic OH with the assistance of TBD. We also found that multiple hydrogen-bonding activations involving the bifunctional nature of TBD and the bidentate interactions of nucleophilic reagents such as OPD and 2AP with carbonyl oxygen atoms enable the one-pot formation of benzimidazoles and benzoxazoles from PET. Thus, this study not only demonstrates a new valuable method for upcycling of PET, but also offers a new synthetic route to benzimidazoles and benzoxazoles.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 148893-10-1. Application In Synthesis of O-(7-Azabenzotriazol-1-yl)-N,N,N,N-tetramethyl uronium hexafluorophosphate.

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

New discoveries in chemical research and development in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 136630-39-2, Name is 2,7-Dibromo-9H-carbazole, molecular formula is C12H7Br2N. In an article, author is Mo, Lingchao,once mentioned of 136630-39-2, COA of Formula: https://www.ambeed.com/products/136630-39-2.html.

In this paper, new liquid crystal compounds with negative dielectric anisotropy were synthesised by regulating the substituents on the benzofuran ring. Their structures were confirmed by(1)H-nuclear magnetic resonance,(CNMR)-C-13 and mass spectra. The effects of substituent on the properties of liquid crystals were investigated. Compared with the reference compounds, the compounds with 5-ethoxy-6,7-difluorobenzofuran ring exhibit higher clearing points as well as the tendency of expansion of SmA phase range. The density functional theory calculation results reveal that the 6-ethoxy-7-fluorobenzofuran-based compound has smaller aspect ratio than that of the 5-ethoxy-6,7-difluorobenzofuran-based compound, which results in the diminish of the mesophase. Although the dielectric anisotropy of the 5-ethoxy-6,7-difluorobenzofuran-based compound is slightly lower than that of the reference compound, it has both the largest perpendicular and parallel dielectric constant.

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

New research progress on 5535-48-8 in 2021.Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 5535-48-8, Name is (Vinylsulfonyl)benzene, molecular formula is , belongs to benzoxazole compound. In a document, author is Hyeon, Jae Wook, Computed Properties of https://www.ambeed.com/products/5535-48-8.html.

Prion diseases are a group of neurodegenerative and fatal central nervous system disorders. The pathogenic mechanism involves the conversion of cellular priori protein (PrPC) to an altered scrapie isoform (PrPSc), which accumulates in amyloid deposits in the brain. However, no therapeutic drugs have demonstrated efficacy in clinical trials. We previously reported that BMD42-29, a synthetic compound discovered in silico, is a novel anti-prion compound that inhibits the conversion of PrPC to protease K (PK)-resistant PrPSc fragments (PrPres). In the present study. 14 derivatives of BMD42-29 were obtained from BMD42-29 by modifying in the side chain by in silico feedback, with the aim to determine whether they improve anti-priori activity. These derivatives were assessed in a PrPSc-infected cell model and some derivatives were further tested using real time-quaking induced conversion (RT-QuIC). Among them, BMD42-2910 showed high anti-prion activity at low concentrations in vitro and also no toxic effects in a mouse model. Interestingly; abundant PrPres was reduced in brains of mice infected with prion strain when treated with BMD42-2910, and the mice survived longer than control mice and even that treated with BMD42-29. Finally, high binding affinity was predicted in the virtual binding sites (Asn159, Gln 160, Lys194, and Glu196) when PIPC was combined with BMD-42-2910. Our findings showed that BMD42-2910 sufficiently reduces PrPres generation in vitro and in vivo and may be a promising novel anti-prion compound.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 5535-48-8, in my other articles. Computed Properties of https://www.ambeed.com/products/5535-48-8.html.

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

4570-41-6, 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. Benzo[d]oxazol-2-amine, cas is 4570-41-6,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

Step 5:To a solution of (S)-2-(4-methanesulfonyl-phenyl)-3-o-tolyl-propionic acid (214 mg, 0.67 mmol) and 2-amino-benzoxazole (90 mg, 0.67 mmol) in CH2Cl2 (10 mL) was added DMAP (24 mg, 0.2 mmol) and EDC.HCl (154 mg, 0.8 mmol).The reaction mixture was stirred at room temperature for 2 days.The reaction mixture was concentrated in vacuo.Purification by chromatography (silica, 0-1.5percent methanol/CH2Cl2 gradient), followed by RPHPLC purification (C4 reverse phase, 10-90percent acetonitrile/0.1percent aqueous TFA buffer) afforded (S)-N-Benzooxazol-2-yl-2-(4-methanesulfonyl-phenyl)-3-o-tolyl-propionamide (68 mg, 23percent): m.p. 106-108° C., LC/MS-ESI observed [M+H]+ 435, [alpha]28=+43.6° (c=0.5, methanol), 75percent ee by chiral HPLC determination.

The chemical industry reduces the impact on the environment during synthesis,4570-41-6,Benzo[d]oxazol-2-amine,I believe this compound will play a more active role in future production and life.

Reference：
Patent; Brotherton-Pleiss, Christine E.; Walker, Keith A. M.; US2012/149718; (2012); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

59-49-4, 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-Benzoxazolinone, cas is 59-49-4,the benzoxazole compound, it is a common compound, a new synthetic route is introduced below.

6-chloro-3-methylbenzo[d]oxazol-2(3H)-one (S8). 60% sodium hydride (1.44 g, 36 mmol) wasadded to a solution of benzoxindolidinone (3.38 g, 25 mmol) in THF (20 mL) at 0 C, and stirredat 0 C for 30 minutes. Iodomethane (2.30 mL, 37.5 mmol) was added dropwise and stirred at room temperature for 9 hours. The reaction mixture was diluted with ethanol and concentrated.The residue was diluted with water and extracted with dichloromethane. The organic layers werecombined, dried over sodium sulfate, filtered, and concentrated. The product was purified bycolumn chromatography eluting with 25% ethyl acetate/hexanes to yield S8 (1.62 g, 43%) as anoff white solid.Rf: 0.25 (25% ethyl acetate/hexanes)1H NMR (400 MHz, CDCl3): delta = 7.22 – 7.17 (m, 2H), 7.15 – 7.09 (m, 1H), 6.98 – 6.95 (m, 1H),3.41 (s, 3H)13C NMR (101 MHz, CDCl3): delta = 154.9, 142.8, 131.9, 124.0, 122.6, 110.1, 108.2, 28.2

The chemical industry reduces the impact on the environment during synthesis,59-49-4,2-Benzoxazolinone,I believe this compound will play a more active role in future production and life.

Reference：
Article; Fosu, Stacy C.; Hambira, Chido M.; Chen, Andrew D.; Fuchs, James R.; Nagib, David A.; Chem; vol. 5; 2; (2019); p. 417 – 428;,
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.

Step 6) Synthesis of 2, 5-dichlorobenzo [d] oxazoleA mixture of 5-chlorobenzo [d] oxazole-2-thiol (3.01 g, 16.22 mmol) , sulfoxide chloride (20 mL, 272.6 mmol) and N, N-dimethylformamide (0.10 mL, 1.3 mmol) was heated to reflux and stirred for 3 hours The reaction mixture was cooled and the solvent was removed in vacuo. The resulting product was used directly in the next step.

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 5-Chlorobenzo[d]oxazole-2(3H)-thione, 22876-19-3

Reference：
Patent; SUNSHINE LAKE PHARMA CO., LTD.; ZHANG, Yingjun; JIN, Chuanfei; ZHANG, Ji; (90 pag.)WO2017/88759; (2017); 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.

General procedure: A reaction vessel was charged with acetic acid (2.016 mmol) and TBHP (70% inwater, 1.008 mmol) in acetonitrile (2 mL). After the addition of [Bpy]I (0.1008 mmol),benzoxazole (0.672 mmol) and secondary amines (1.344 mmol) were added. Then thereaction mixture was stirred at room temperature for 3.5 hours. After the reactionfinished, the mixture was extracted with dichloromethane (5 × 10 mL), and thecombined organic phases were dried over anhydrous Na2SO4. The solvent wasevaporated under vacuo, and the crude residue was purified by columnchromatography on silica gel. Aqueous phase was dried in a vacuum evaporator torecover the ionic liquid and directly reused in subsequent runs.

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：
Article; Zhou, Ya; Liu, Zhiqing; Yuan, Tingting; Huang, Jianbin; Liu, Chenjiang; Molecules; vol. 22; 4; (2017);,
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.

Benzooxazol-6-yl- (6-bromo-imidazo[1,2-a]pyrazin-8-yl)-amine [0133] A quantity of 0.13 g (1 mmole) OF BENZOOXAZOL-6-YLAMINE is treated with 0.27 g (1 mmole) OF 6, 8-DIBROMO-IMIDAZO [1, 2-a] pyrazine in acetonitrile with 3 eq OF K2CO3 AT REFLUX FOR 16 hrs. The reaction mixture is cooled partitioned between ethyl acetate and water, the organic extracts are dried over anhydrous MgSO4 and evaporated IN VACUO to afford BENZOOXAZOL-6-YL- (6-BROMO- imidazo [1, 2-a] pyrazin-8-yl)-amine.

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：
Patent; CELLULAR GENOMICS, INC.; WO2005/5429; (2005); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

As a common heterocyclic compound, it belongs to benzoxazole compound, name is 2-Chloro-6-fluorobenzo[d]oxazole, and cas is 153403-53-3, its synthesis route is as follows.

Compound 6: A solution of compound 5 (4.24 g, 24.71 mmol), (+)-S-trityl-L-cysteine (8.16 g, 22.45 mmol) and DIPEA (5.6 mL, 33.67 mmol) in THF (20 mL) and methanol (35 mL) was stirred at room temperature for 24 h. Volatiles were removed in vacuo. The residue was suspended in water and acidified to pH 3 with 5% KHSO4 solution. The resulting suspension was extracted with CH2Cl2 (2*100 mL). The organic phase was washed with water, dried over Na2SO4, filtered, and the solvent removed in vacuo. The residue was purified by flash column chromatography using gradient elution from CH2Cl2/MeOH (99:1) to CH2Cl2/EtOH (9:1) to give (R)-2-(6-fluorobenzoxazol-2-ylamino)-3-tritylsulfanyl-propionic acid (7.80 g, 70%). 400 MHz 1H-NMR (DMSO-d6, ppm): 8.46 (1H, d, J=8.6 Hz) 7.40 (1H, dd, J=8.4, 2.4 Hz) 7.35-7.20 (16H, m) 6.99 (1H, ddd, J=10.2, 8.4, 2.4 Hz) 4.14-4.06 (1H, m) 2.76 (1H, dd, J=12.5, 9.6 Hz) 2.53 (1H, dd, J=12.5, 4.4 Hz). ESI-MS (m/z): 499 [M+H]+

153403-53-3, 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.,153403-53-3 ,2-Chloro-6-fluorobenzo[d]oxazole, other downstream synthetic routes, hurry up and to see

Reference：
Patent; GALLEON PHARMACEUTICALS, INC.; US2011/224269; (2011); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem

As a common heterocyclic compound, it belongs to benzoxazole compound, name is 6-Bromobenzo[d]oxazol-2(3H)-one, and cas is 19932-85-5, its synthesis route is as follows.

To a solution of 6-bromo-3H-benzoxazol-2-one (15 g; ca. 0.07 mol, containing 8-9% 3H-benzooxazol-2-one) and triethylamine (11.1 mL, 0.08 mol) in DCM (250 mL) was added trityl chloride (21.5 g, 0.08 mol). The solution was stirred at room temperature for 18 h and was then washed with distilled water (3×250 mL), brine (250 mL) and dried (MgSO4), filtered and evaporated to give an off-white colored solid. The product was dissolved in refluxing EtOAc then allowed to cool to room temperature with constant stirring for several hours. The solids were collected (21.16 g) and the filtrate was concentrated until precipitation occurred, re-heated (reflux) for several hours and allowed to cool with stirring to encourage a second crystallization (7.88 g). NMR and HPLC indicated the product (29.04 g, 91%) was very clean.

19932-85-5, 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.,19932-85-5 ,6-Bromobenzo[d]oxazol-2(3H)-one, other downstream synthetic routes, hurry up and to see

Reference：
Patent; AVENTIS PHARMACEUTICALS INC.; US2008/138413; (2008); A1;,
Benzoxazole – Wikipedia
Benzoxazole | C7H5NO – PubChem