Benzoxazole, 2-ethyl-

Base Information

• Chemical Name: Benzoxazole, 2-ethyl-
• CAS No.: 6797-13-3
• Molecular Formula: C9H9 N O
• Molecular Weight: 147.177
• Hs Code.: 2934999090
• European Community (EC) Number: 229-868-0
• DSSTox Substance ID: DTXSID4064478
• Nikkaji Number: J41.885D
• Wikidata: Q81991590
• Mol file: 6797-13-3.mol

Synonyms:2-Ethylbenzo[d]oxazole;6797-13-3;BENZOXAZOLE, 2-ETHYL-;2-Ethyl-1,3-benzoxazole;2-Ethylbenzoxazole;2-ethyl-benzooxazole;BRN 0116485;EINECS 229-868-0;4-27-00-01098 (Beilstein Handbook Reference);EC-000.1574;SCHEMBL2621291;DTXSID4064478;MFCD01664178;AKOS006277068;DS-3333;LS-42190;CS-0062230;Y10990

Chemical Property of Benzoxazole, 2-ethyl-

Chemical Property:

• Vapor Pressure: 0.197mmHg at 25°C
• Refractive Index: 1.5670 (estimate)
• Boiling Point: 217.3°C at 760 mmHg
• Flash Point: 81.8°C
• PSA: 26.03000
• Density: 1.111g/cm³
• LogP: 2.39020
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethylbenzo[d]oxazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC2=CC=CC=C2O1

Technology Process of Benzoxazole, 2-ethyl-

There total 42 articles about Benzoxazole, 2-ethyl- 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: 99.0%

N-(2-bromophenyl)propionamide (60751-73-7) → 2-ethyl-1,3-benzoxazole (6797-13-3)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,2-dimethoxyethane; for 24h; Heating;

DOI:10.1021/jo051927q

Reference yield: 98.0%

2-amino-phenol (95-55-6) + Triethyl orthopropionate (115-80-0) → 2-ethyl-1,3-benzoxazole (6797-13-3)

Guidance literature:

With tungstate sulfuric acid; In neat (no solvent); at 80 - 90 ℃; for 0.0666667h; Reagent/catalyst;

DOI:10.1016/j.crci.2013.03.009

Reference yield: 98.0%

2-amino-phenol (95-55-6) + Triethyl orthopropionate (115-80-0) → 2-ethyl-1,3-benzoxazole (6797-13-3)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; at 20 ℃; for 0.0333333h;

DOI:10.1007/s00706-010-0412-3

upstream raw materials:

2-amino-phenol

propiononitrile

2-aminophenol hydrochloride

1-(2-methoxy-phenyl)-propan-1-one oxime

Downstream raw materials:

2-(2-benzoxazolyl)-3-(o-hydroxyanilino)-2-pentene

N-(di-2-propenyl)-n-propyl-o-aminophenol

N-(di-1-methyl-2-propenyl)-n-propyl-o-aminophenol

N-(di-2-methyl-2-propenyl)-n-propyl-o-aminophenol

Refernces

• 1、 -. "Method of preparing benzoxazole compound". Paragraph 0042-0072; 0079-0084; 0107; 0108. . Retrieved 2020/04/17.
• 2、 D?rr, Maurice,Lips, Sebastian,Martínez-Huitle, Carlos Alberto,Schollmeyer, Dieter,Franke, Robert,Waldvogel, Siegfried R.. "Synthesis of Highly Functionalized N,N-Diarylamides by an Anodic C,N-Coupling Reaction". supporting information. p. 7835 - 7838. Retrieved 2019/05/21.