Ethyl benzylcarbamate

Base Information

• Chemical Name: Ethyl benzylcarbamate
• CAS No.: 2621-78-5
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• European Community (EC) Number: 220-064-5
• NSC Number: 3167
• UNII: HW5P5M9LUM
• DSSTox Substance ID: DTXSID30180849
• Nikkaji Number: J192.126F
• Wikidata: Q83051463
• ChEMBL ID: CHEMBL1491504
• Mol file: 2621-78-5.mol

Synonyms:Ethyl benzylcarbamate;2621-78-5;Ethyl N-benzylcarbamate;ETHYL-N-BENZYLCARBAMATE;Carbamic acid, (phenylmethyl)-, ethyl ester;HW5P5M9LUM;NSC-3167;EINECS 220-064-5;AI3-18051;benzylurethane;Benzylurethan;N-Benzyl-O-ethylurethane;Maybridge1_003377;UNII-HW5P5M9LUM;MLS001074427;SCHEMBL423344;CHEMBL1491504;HMS551B11;DTXSID30180849;NSC3167;HMS2197D22;NSC 3167;CCG-53245;AKOS002963871;Carbamic acid, N-benzyl-, ethyl ester;BENZYLCARBAMIC ACID, ETHYL ESTER;NCGC00247626-01;SMR000673544;CS-0299249;FT-0634405;Carbamic acid, N-(phenylmethyl)-, ethyl ester;SR-01000642421-1;Z31478129;NVJ

Chemical Property of Ethyl benzylcarbamate

Chemical Property:

• Vapor Pressure: 0.000876mmHg at 25°C
• Melting Point: 49°C
• Refractive Index: 1.5710 (estimate)
• Boiling Point: 304.4°Cat760mmHg
• PKA: 12.89±0.46(Predicted)
• Flash Point: 137.9°C
• PSA: 38.33000
• Density: 1.069g/cm³
• LogP: 2.32360
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-N-BENZYLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NCC1=CC=CC=C1

Technology Process of Ethyl benzylcarbamate

There total 79 articles about Ethyl benzylcarbamate 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) + benzylamine (100-46-9) → ethyl N-benzylcarbamate (2621-78-5)

Guidance literature:

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

DOI:10.1039/c6ob00706f

Reference yield: 98.0%

benzylamine (100-46-9) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl N-benzylcarbamate (2621-78-5)

Guidance literature:

MCM-41-TBD; 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; for 15h; Heating;

DOI:10.1006/jcat.2001.3439

Reference yield: 96.0%

benzaldehyde (100-52-7) + urethane (51-79-6) → ethyl N-benzylcarbamate (2621-78-5)

Guidance literature:

With triethylsilane; bismuth(III) chloride; In acetonitrile; at 20 ℃; for 24h; chemoselective reaction; Inert atmosphere; Green chemistry;

DOI:10.1016/j.tetlet.2014.01.132

upstream raw materials:

ethanol

phenylacetyl azide

chloroformic acid ethyl ester

benzylamine

Downstream raw materials:

ethyl N-nitroso-N-benzylcarbamate

nitro-(4-nitro-benzyl)-amine

benzyl-nitro-carbamic acid ethyl ester

benzyl-methyl-amine

Refernces

• 1、 Krow et al.. "". . p. 3094,3095,3098. Retrieved 1973.
• 2、 Biswas, Surajit,Hazra Chowdhury, Arpita,Hazra Chowdhury, Ipsita,Islam, Sk. Manirul. "Application of Ag/TFPG-DMB COF in carbamates synthesis via CO2 fixation reaction and one-pot reductive N-formylation of nitroarenes under sunlight". . . Retrieved 2020/06/25.
• 3、 Zeng, Ruijie,Bao, Linquan,Sheng, Hongting,Sun, Lili,Chen, Man,Feng, Yan,Zhu, Manzhou. "Heterobimetallic dinuclear lanthanide alkoxide complexes as acid-base bifunctional catalysts for synthesis of carbamates under solvent-free conditions". . p. 78576 - 78584. Retrieved 2016/09/09.