Ethyl benzo[d]oxazole-2-carboxylate

Base Information

• Chemical Name: Ethyl benzo[d]oxazole-2-carboxylate
• CAS No.: 27383-87-5
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.18
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90557553
• Wikidata: Q82439502
• Mol file: 27383-87-5.mol

Synonyms:27383-87-5;Ethyl benzo[d]oxazole-2-carboxylate;Ethyl 1,3-benzoxazole-2-carboxylate;BENZOOXAZOLE-2-CARBOXYLIC ACID ETHYL ESTER;2-Benzoxazolecarboxylic acid, ethyl ester;SCHEMBL3621004;DTXSID90557553;CWJRNKXXSWYYTJ-UHFFFAOYSA-N;Ethylbenzo[d]oxazole-2-carboxylate;CBA38387;MFCD09836160;AKOS006228889;ethyl 1, 3-benzoxazole-2-carboxylate;benzoxazole-2-carboxylic acid ethyl ester;CS-0361621;J-519760;METHYL4-HYDROXY-6-METHYL-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE

Chemical Property of Ethyl benzo[d]oxazole-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.00284mmHg at 25°C
• Melting Point: 101 °C(Solv: ethanol (64-17-5))
• Boiling Point: 285.2°C at 760 mmHg
• PKA: 0.19±0.10(Predicted)
• Flash Point: 126.3°C
• PSA: 52.33000
• Density: 1.241g/cm³
• LogP: 2.00450
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

Benzooxazole-2-carboxylicacidethylester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC2=CC=CC=C2O1

Technology Process of Ethyl benzo[d]oxazole-2-carboxylate

There total 7 articles about Ethyl benzo[d]oxazole-2-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

benzoxazole (273-53-0,29791-96-6) + carbon dioxide (124-38-9,18923-20-1) + ethyl iodide (75-03-6) → benzoxazole-2-carboxylic acid ethyl ester (27383-87-5)

Guidance literature:

benzoxazole; carbon dioxide; With 3-benzyl-1-(1-((2,6-diisopropylphenyl)imino)ethyl)-1H-imidazol-3-ium chloride; potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 18h; under 760.051 Torr; Inert atmosphere;

ethyl iodide; In N,N-dimethyl-formamide; at 65 ℃; for 1h; Inert atmosphere;

Reference yield: 84.0%

N-(2-hydroxyphenyl)glycine ethyl ester (99450-18-7) → benzoxazole-2-carboxylic acid ethyl ester (27383-87-5)

Guidance literature:

With potassium carbonate; copper(l) chloride; dibenzoyl peroxide; at 20 ℃; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1039/d0ob02490b

Reference yield: 42.0%

Ethyl bromodifluoroacetate (667-27-6) + 2-amino-phenol (95-55-6) → benzoxazole-2-carboxylic acid ethyl ester (27383-87-5)

Guidance literature:

With sulfur; sodium carbonate; In acetonitrile; at 120 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c9sc01333d

upstream raw materials:

benzoxazole

carbon dioxide

ethyl iodide

[bis(acetoxy)iodo]benzene

Downstream raw materials:

benzo[d]oxazole-2-carbonyl chloride

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