Ethyl phenethylcarbamate

Base Information

• Chemical Name: Ethyl phenethylcarbamate
• CAS No.: 6970-83-8
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• Hs Code.: 2924299090
• European Community (EC) Number: 847-647-2
• NSC Number: 62605
• DSSTox Substance ID: DTXSID60289652
• Nikkaji Number: J245.898E
• Wikidata: Q82027056
• ChEMBL ID: CHEMBL4521412
• Mol file: 6970-83-8.mol

Synonyms:Ethyl phenethylcarbamate;6970-83-8;ethyl N-(2-phenylethyl)carbamate;CHEMBL4521412;Phenethyl carbamic acid, ethyl ester;Ethylphenethylcarbamate;ethyl phenethyl-carbamate;ethyl 2-phenylethylcarbamate;NCIOpen2_000287;SCHEMBL158220;ethyl n-(2-phenethyl) carbamate;DTXSID60289652;WXDDBYFBIIAYSM-UHFFFAOYSA-N;phenethyl-carbamic acid ethyl ester;NSC62605;BDBM50533983;MFCD00026817;NSC-62605;N-phenethyl-carbamic acid ethyl ester;AKOS002963872;DS-2585;CS-0151525;FT-0747900;EN300-7394486;Z31486161

Chemical Property of Ethyl phenethylcarbamate

Chemical Property:

• Vapor Pressure: 0.000299mmHg at 25°C
• Boiling Point: 321.4°C at 760 mmHg
• Flash Point: 148.2°C
• PSA: 38.33000
• Density: 1.049g/cm³
• LogP: 2.36610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Ethylphenethylcarbamate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NCCC1=CC=CC=C1

Technology Process of Ethyl phenethylcarbamate

There total 19 articles about Ethyl phenethylcarbamate 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%

chloroformic acid ethyl ester (541-41-3) + phenethylamine (64-04-0) → ethyl-N-(2-phenethyl)carbamate (6970-83-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; Inert atmosphere;

DOI:10.1039/c6ob00706f

Reference yield: 92.0%

styrylcarbamic acid ethyl ester (107479-82-3) → ethyl-N-(2-phenethyl)carbamate (6970-83-8)

Guidance literature:

With triethylsilane; In trifluoroacetic acid; at -10 ℃; for 0.5h;

DOI:10.1016/S0040-4039(01)01780-4

Reference yield: 90.0%

carbonic acid ethyl ester-isopropenyl ester (63436-79-3) + phenethylamine (64-04-0) → ethyl-N-(2-phenethyl)carbamate (6970-83-8)

Guidance literature:

at 65 ℃; for 6h;

DOI:10.1021/jo01310a057

upstream raw materials:

ethanol

3-phenylpropanoyl azide

3-phenylpropionamide

ethyl 2-hydroxy-2-phenylethylcarbamate

Downstream raw materials:

phenethylcarbamic acid 4a,6a-dimethyl-tetrahydro-1,4-dioxa-6b-aza-cyclopenta[cd]pentalen-2a-ylmethyl ester

3,4-dihydroisoquinolin-1(2H)-one

piperidine-1-carboxylic acid phenethylamide

1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Ogbu, Ikechukwu Martin,Lusseau, Jonathan,Kurtay, Gülbin,Robert, Frédéric,Landais, Yannick. "Urethanes synthesis from oxamic acids under electrochemical conditions". . p. 12226 - 12229. Retrieved 2020/10/26.
• 2、 Jing, Dong,Lu, Cong,Chen, Zhuo,Jin, Songyang,Xie, Lijuan,Meng, Ziyi,Su, Zhishan,Zheng, Ke. "Light-Driven Intramolecular C?N Cross-Coupling via a Long-Lived Photoactive Photoisomer Complex". supporting information. p. 14666 - 14672. Retrieved 2019/09/06.