Ethyl methyl(phenyl)carbamate

Base Information

• Chemical Name: Ethyl methyl(phenyl)carbamate
• CAS No.: 2621-79-6
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• European Community (EC) Number: 220-065-0
• NSC Number: 65608
• DSSTox Substance ID: DTXSID40180850
• Nikkaji Number: J34.915A
• Wikidata: Q83051465
• Mol file: 2621-79-6.mol

Synonyms:N-Methyl-N-phenylurethane;2621-79-6;Ethyl methyl(phenyl)carbamate;Ethyl N-methyl-N-phenylcarbamate;Ethyl methylphenylcarbamate;Carbamic acid, methylphenyl-, ethyl ester;N-Methylcarbanilic acid, ethyl ester;Carbanilic acid, N-methyl-, ethyl ester;EINECS 220-065-0;AI3-06181;Carbamic acid, N-methyl-N-phenyl-, ethyl ester;methylphenylurethan;ethyl N-methylcarbanilate;N-Methyl-N-phenyurethane;Ethylmethyl(phenyl)carbamate;NCIOpen2_000149;SCHEMBL442790;DTXSID40180850;N-Methyl-N-phenylurethane, 96%;AMY28241;NSC65608;NSC 65608;NSC-65608;AKOS005206882;Methyl(phenyl)carbamic acid ethyl ester;methyl-phenyl-carbamic acid ethyl ester;FT-0634406;Carbamic acid,N-methyl-N-phenyl-,ethyl ester;C13886;J-016325

Chemical Property of Ethyl methyl(phenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.032mmHg at 25°C
• Melting Point: 242-244 °C
• Refractive Index: n20/D 1.515(lit.)
• Boiling Point: 243.5 °C at 760 mmHg
• PKA: 0.25±0.50(Predicted)
• Flash Point: 104 °C
• PSA: 29.54000
• Density: 1.093 g/cm³
• LogP: 2.27930
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99%, ^*data from raw suppliers

ETHYL N-METHYLCARBANILATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N(C)C1=CC=CC=C1

Technology Process of Ethyl methyl(phenyl)carbamate

There total 10 articles about Ethyl methyl(phenyl)carbamate 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: 96.0%

diethyl sulfate (64-67-5) + carbon dioxide (124-38-9,18923-20-1) + N-methylaniline (100-61-8) → ethyl N-methyl-N-phenylcarbamate (2621-79-6)

Guidance literature:

With diethylzinc; Product distribution; 1.) benzene, 160 deg C, 50 atm, 5 h; 2.) benzene, 140 deg C, 20 h; other temp.;

DOI:10.1246/bcsj.61.2913

Reference yield: 88.0%

chloroformic acid ethyl ester (541-41-3) + N-methylaniline (100-61-8) → ethyl N-methyl-N-phenylcarbamate (2621-79-6)

Guidance literature:

N-methylaniline; With triethylamine; In dichloromethane; for 0.333333h;

chloroformic acid ethyl ester; at 20 - 25 ℃;

Reference yield: 81.0%

N-methyl-N-phenyl-2-nitrobenzenesulfenanilide (33224-04-3) + chloroformic acid ethyl ester (541-41-3) → ethyl N-methyl-N-phenylcarbamate (2621-79-6) + 2-nitrobenzenesulfenyl chloride (7669-54-7)

Guidance literature:

With Allyl ether; triphenylphosphine; In 1,4-dioxane; at 18 - 20 ℃; for 5h;

upstream raw materials:

chloroformic acid ethyl ester

N-methylaniline

diethyl ether

1-Methyl-1-phenylhydrazine

Downstream raw materials:

N-phenyl-N-methylcarbamoyl chloride

ethyl N-methyl-N-4-nitrophenylcarbamate

N-carbomethoxy-N-methylaniline

N-methylaniline

Refernces

• 1、 Chen, Chih-Cheng,Chen, Same-Ting,Chuang, Tsung-Hsun,Fang, Jim-Min. "2-(N-Methylanilino)-2-phenylsulfanylacetonitrile, A Reagent Tested for Electrophilic, Nucleophilic, and Radical Reactions". . p. 2217 - 2222. Retrieved 2007/10/02.
• 2、 Dembele, Albert,Deshayes, Henri,Pete, Jean-Pierre. "Reduction et photoreduction de derives de l'acide carbonique influence de l'hexamethylphosphorotriamide". . p. 671 - 680. Retrieved 2007/10/02.