Hydroxycarbamic acid hexyl ester

Base Information

• Chemical Name: Hydroxycarbamic acid hexyl ester
• CAS No.: 592-70-1
• Molecular Formula: C7H15NO3
• Molecular Weight: 161.201
• DSSTox Substance ID: DTXSID30974624
• Mol file: 592-70-1.mol

Synonyms:Hexyl hydroxycarbamate;Hydroxycarbamic acid hexyl ester;n-Hexyl N-hydroxycarbamate;CCRIS 5075;BRN 1857850;592-70-1;CARBAMIC ACID, HYDROXY-, HEXYL ESTER;DTXSID30974624;Hexyl hydrogen hydroxycarbonimidate;LS-49936

Chemical Property of Hydroxycarbamic acid hexyl ester

Chemical Property:

• Vapor Pressure: 0.000159mmHg at 25°C
• Boiling Point: 295.3°Cat760mmHg
• Flash Point: 132.4°C
• Density: 1.047g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 161.10519334
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)NO

Technology Process of Hydroxycarbamic acid hexyl ester

There total 3 articles about Hydroxycarbamic acid 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: 80.0%

1,1'-carbonyldiimidazole (530-62-1) + hexan-1-ol (111-27-3) → n-hexyl hydroxycarbamate (592-70-1)

Guidance literature:

1,1'-carbonyldiimidazole; hexan-1-ol; In tetrahydrofuran; at 20 ℃; for 2h;

With hydroxylamine hydrochloride; In pyridine; at 20 ℃; for 6h;

DOI:10.1021/ja0552850

Reference yield:

n-hexyl chloroformate (6092-54-2) → n-hexyl hydroxycarbamate (592-70-1)

Guidance literature:

With hydroxylamine;

DOI:10.1039/j39660000346

Reference yield:

hexan-1-ol (111-27-3) → n-hexyl hydroxycarbamate (592-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: NH₂OH

With hydroxylamine; In benzene;

DOI:10.1039/j39660000346

upstream raw materials:

n-hexyl chloroformate

1,1'-carbonyldiimidazole

hexan-1-ol

Downstream raw materials:

n-hexyl tosyloxycarbamate