Isoamyl carbamate

Base Information

• Chemical Name: Isoamyl carbamate
• CAS No.: 543-86-2
• Molecular Formula: C6H13NO2
• Molecular Weight: 131.175
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID50969350
• Nikkaji Number: J6.406H
• Wikidata: Q82952364
• Mol file: 543-86-2.mol

Synonyms:ISOAMYL CARBAMATE;Isopentyl carbamate;543-86-2;3-methylbutyl carbamate;Isoamyl aminoformate;Carbamate (isoamyl);1-Butanol, 3-methyl-, carbamate;BRN 1748974;Carbamic acid, isopentyl ester;Isoamylcarbaminat;1-Butanol, 3-methyl-, carbamate (9CI);SCHEMBL224100;DTXSID50969350;3-Methylbutyl hydrogen carbonimidate;AKOS006337789;LS-49994

Chemical Property of Isoamyl carbamate

Chemical Property:

• Vapor Pressure: 0.109mmHg at 25°C
• Melting Point: 64-66℃
• Refractive Index: 1.4175
• Boiling Point: 220℃
• Flash Point: 94.2°C
• PSA: 53.31000
• Density: 0.97g/cm³
• LogP: 1.64160
• Water Solubility.: 4.801g/L(15.5 oC)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 131.094628657
• Heavy Atom Count: 9
• Complexity: 91.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)N

Technology Process of Isoamyl carbamate

There total 1 articles about Isoamyl 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:

urea (57-13-6) + isopentyl nitrite (110-46-3) → i-Amyl alcohol (123-51-3) + carbamic acid isopentyl ester (543-86-2) + carbon dioxide (124-38-9,18923-20-1) + ammonia (7664-41-7)

Guidance literature:

Reference yield:

9-hydroxyxanthene (90-46-0) + carbamic acid isopentyl ester (543-86-2) → xanthen-9-yl-carbamic acid isopentyl ester (7473-51-0)

Guidance literature:

Reference yield:

carbamic acid isopentyl ester (543-86-2) + cinchophen (132-60-5) → (2-phenyl-quinoline-4-carbonyl)-carbamic acid isopentyl ester

Guidance literature:

With thionyl chloride;

upstream raw materials:

urea

isopentyl nitrite

Downstream raw materials:

xanthen-9-yl-carbamic acid isopentyl ester