Carbamic acid, hydroxy-, isobutyl ester

Base Information

• Chemical Name: Carbamic acid, hydroxy-, isobutyl ester
• CAS No.: 6092-71-3
• Molecular Formula: C5H11NO3
• Molecular Weight: 133.147
• DSSTox Substance ID: DTXSID20209755
• Wikidata: Q83084168

Synonyms:Isobutyl hydroxycarbamate;2-methylpropyl N-hydroxycarbamate;Isobutyl N-hydroxycarbamate;6092-71-3;CARBAMIC ACID, HYDROXY-, ISOBUTYL ESTER;2-Methylpropyl hydroxycarbamate;CCRIS 5073;BRN 1853978;Carbamic acid, hydroxy-, 2-methylpropyl ester;SCHEMBL8698130;DTXSID20209755;LS-49938;CS-0133203

Chemical Property of Carbamic acid, hydroxy-, isobutyl ester

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Boiling Point: 260°C at 760 mmHg
• Flash Point: 111°C
• Density: 1.098g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 133.07389321
• Heavy Atom Count: 9
• Complexity: 92.2

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)NO

Technology Process of Carbamic acid, hydroxy-, isobutyl ester

There total 2 articles about Carbamic acid, hydroxy-, isobutyl 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: 67.0%

2-methyl-propan-1-ol (78-83-1) + 1,1'-carbonyldiimidazole (530-62-1) → N-carboisobutyloxyhydroxylamine (6092-71-3)

Guidance literature:

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

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

DOI:10.1021/ja0552850

Reference yield:

isobutyl chloroformate (543-27-1) → N-carboisobutyloxyhydroxylamine (6092-71-3)

Guidance literature:

With hydroxylamine;

DOI:10.1039/j39660000346

Reference yield: 78.0%

N-carboisobutyloxyhydroxylamine (6092-71-3) + 2,4,6-trichlorobenzoyl chloride (4136-95-2) → isobutyl (2,4,6-trichlorobenzoyl)oxycarbamate

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/chem.201602550

upstream raw materials:

isobutyl chloroformate

2-methyl-propan-1-ol

1,1'-carbonyldiimidazole

Downstream raw materials:

4,4-dimethyl-1,3-oxazolidin-2-one

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