Carbamic acid, butyl-, hexyl ester

Base Information

• Chemical Name: Carbamic acid, butyl-, hexyl ester
• CAS No.: 1070-59-3
• Molecular Formula: C₁₁H₂₃NO₂
• Molecular Weight: 201.309
• DSSTox Substance ID: DTXSID60147864
• Nikkaji Number: J1.947.554I
• Wikidata: Q83013269
• Mol file: 1070-59-3.mol

Synonyms:Hexyl butylcarbamate;Carbamic acid, butyl-, hexyl ester;1070-59-3;hexyl N-butylcarbamate;Butylcarbamic acid hexyl ester;SCHEMBL7692520;DTXSID60147864;MUQXLUFNPKWCKG-UHFFFAOYSA-N;Carbonic acid, monoamide, N-butyl-, hexyl ester

Chemical Property of Carbamic acid, butyl-, hexyl ester

Chemical Property:

• Vapor Pressure: 0.0161mmHg at 25°C
• Boiling Point: 255.7°Cat760mmHg
• Flash Point: 108.4°C
• Density: 0.905g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 201.172878976
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)NCCCC

Technology Process of Carbamic acid, butyl-, hexyl ester

There total 2 articles about Carbamic acid, butyl-, hexyl ester 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: 89.0%

carbon dioxide (124-38-9,18923-20-1) + N-butylamine (109-73-9,85404-21-3) + hexan-1-ol (111-27-3) → hexyl N-butylcarbamate (1070-59-3)

Guidance literature:

carbon dioxide; N-butylamine; In dimethyl sulfoxide; at 90 ℃; for 0.5h;

hexan-1-ol; With triphenylphosphine; diethylazodicarboxylate; In dimethyl sulfoxide; at 90 ℃;

DOI:10.1016/j.tetlet.2003.08.018

Reference yield:

→ hexyl N-butylcarbamate (1070-59-3)

Guidance literature:

Butylhal., KOCN, Hexylalk. in DMF;

upstream raw materials:

carbon dioxide

N-butylamine

hexan-1-ol

Refernces