Benzyl butylcarbamate

Base Information

• Chemical Name: Benzyl butylcarbamate
• CAS No.: 13105-53-8
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• DSSTox Substance ID: DTXSID40402963
• Nikkaji Number: J651.311E
• Wikidata: Q82206491
• Mol file: 13105-53-8.mol

Synonyms:benzyl butylcarbamate;13105-53-8;Benzyl N-butylcarbamate;Carbamic acid, butyl-, phenylmethyl ester;cbz-butylamine;benzylbutylcarbamate;SCHEMBL1667805;DTXSID40402963;MFCD00158472;AKOS024340201;SB77436;DS-11146;CS-0160335;C72236

Chemical Property of Benzyl butylcarbamate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl butylcarbamate

There total 15 articles about Benzyl butylcarbamate 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: 94.0%

benzyl chloroformate (501-53-1,94274-21-2) + N-butylamine (109-73-9,85404-21-3) → butylcarbamic acid benzyl ester (13105-53-8)

Guidance literature:

With lanthanum(III) nitrate; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.tetlet.2006.11.015

Reference yield: 89.0%

5-propyl-benzo[1,3]dioxol-2-one + N-butylamine (109-73-9,85404-21-3) + benzyl alcohol (100-51-6,185532-71-2) → butylcarbamic acid benzyl ester (13105-53-8)

Guidance literature:

5-propyl-benzo[1,3]dioxol-2-one; benzyl alcohol; With zinc(II) acetate dihydrate; at 50 ℃; for 16h; Sealed tube;

N-butylamine; In 2-methyltetrahydrofuran; at 25 ℃; for 16h; Sealed tube;

DOI:10.1002/cssc.201900406

Reference yield: 82.0%

carbon dioxide (124-38-9,18923-20-1) + benzyl chloride (100-44-7) + N-butylamine (109-73-9,85404-21-3) → butylcarbamic acid benzyl ester (13105-53-8) + N-Butyldibenzylamine (22014-90-0) + benzyl(butyl)carbamic acid benzyl ester

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In hexane; toluene; at 20 ℃; for 24h; under 30400 Torr;

DOI:10.1002/1522-2675(20011114)84:11<3357::AID-HLCA3357>3.0.CO;2-P

upstream raw materials:

benzyl chloroformate

N-butylamine

carbon dioxide

benzyl chloride

Downstream raw materials:

benzyl butyl(4-tert-butylphenyl)carbamate

benzyl butyl(3,5-dimethylphenyl)carbamate