2(3H)-Benzoxazolone, 3-ethyl-

Base Information

• Chemical Name: 2(3H)-Benzoxazolone, 3-ethyl-
• CAS No.: 30741-06-1
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.176
• Hs Code.: 2934999090
• European Community (EC) Number: 250-319-6
• UNII: 27D5NFJ29N
• DSSTox Substance ID: DTXSID8067571
• Nikkaji Number: J65.951G
• Wikidata: Q81994190
• Mol file: 30741-06-1.mol

Synonyms:2(3H)-Benzoxazolone, 3-ethyl-;3-Ethylbenzoxazol-2(3H)-one;30741-06-1;N-Ethylbenzoxazolone;3-Ethyl-2-benzoxazolone;3-Ethyl-2-benzoxazolinone;BRN 0006473;EINECS 250-319-6;2-BENZOXAZOLINONE, 3-ETHYL-;4-27-00-02678 (Beilstein Handbook Reference);3-ethylbenzoxazolinone;SCHEMBL904819;3-Ethyl-2(3H)-benzoxazolone;27D5NFJ29N;DTXSID8067571;2(3H-)Benzoxazolone, 3-ethyl-;MFCD01664184;3-ethyl-1,3-benzoxazol-2(3H)-one;AKOS002700140;LS-42287;3-ethyl-2,3-dihydro-1,3-benzoxazol-2-one

Chemical Property of 2(3H)-Benzoxazolone, 3-ethyl-

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Boiling Point: 254.2°Cat760mmHg
• PKA: -0.47±0.20(Predicted)
• Flash Point: 107.5°C
• PSA: 35.14000
• Density: 1.211g/cm³
• LogP: 1.61440
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2OC1=O

Technology Process of 2(3H)-Benzoxazolone, 3-ethyl-

There total 8 articles about 2(3H)-Benzoxazolone, 3-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%

2-Benzoxazolinone (59-49-4) + ethyl iodide (75-03-6) → N-ethyl benzoxazol-2-one (30741-06-1)

Guidance literature:

2-Benzoxazolinone; at 20 ℃; Inert atmosphere; Electrolysis; Ionic liquid;

ethyl iodide; at 20 ℃; for 2h; Inert atmosphere; Ionic liquid;

DOI:10.1016/j.tet.2009.02.057

Reference yield: 98.0%

2-amino-phenol (95-55-6) + Diethyl carbonate (105-58-8,76619-83-5) → N-ethyl benzoxazol-2-one (30741-06-1)

Guidance literature:

With potassium carbonate; at 150 ℃; for 26h;

DOI:10.1055/s-2003-42464

Reference yield:

chloroformic acid ethyl ester (541-41-3) + 2-amino-phenol (95-55-6) → 2-Benzoxazolinone (59-49-4) + N-ethyl benzoxazol-2-one (30741-06-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

Diazoethan

2-Benzoxazolinone

ethyl bromide

diethyl sulfate

Downstream raw materials:

2-ethylaminophenol

methylammonium carbonate

Refernces

• 1、 Selva, Maurizio. "The Reaction of Dialkyl Carbonates with o-Aminophenol Catalysed by K 2CO3: A Novel High-Yield Synthesis of N-Alkylbenzoxazol-2- ones". . p. 2872 - 2876. Retrieved 2007/10/03.