Isoamylurethan

Base Information

• Chemical Name: Isoamylurethan
• CAS No.: 1611-52-5
• Molecular Formula: C₈H₁₇NO₂
• Molecular Weight: 159.228
• DSSTox Substance ID: DTXSID801037098
• Nikkaji Number: J245.886A
• Mol file: 1611-52-5.mol

Synonyms:Isoamylurethan;1611-52-5;Ethyl (3-methylbutyl)carbamate;SCHEMBL10147776;DTXSID801037098;AKOS003799523

Chemical Property of Isoamylurethan

Chemical Property:

• Vapor Pressure: 0.129mmHg at 25°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)NCCC(C)C

Technology Process of Isoamylurethan

There total 7 articles about Isoamylurethan 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:

1-amino-3-methylbutane (107-85-7) + chloroformic acid ethyl ester (541-41-3) → Isopentylurethan (1611-52-5)

Guidance literature:

With diethyl ether;

Reference yield:

methylbutane (78-78-4) + ethyl N-{[(4-nitrobenzene)sulfonyl]oxy}carbamate (2955-74-0) → (2-methyl-butyl)-carbamic acid ethyl ester (2886-96-6) + Isopentylurethan (1611-52-5) + N-<α,α-Dimethyl-propyl>-carbamidsaeure-ethylester (1611-49-0) + (1,2-Dimethyl-propyl)-carbamic acid ethyl ester (2886-94-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃;

DOI:10.1021/ja01094a018

Reference yield:

N-(3-methylbut-3-enyl)urethane (17902-10-2) → Isopentylurethan (1611-52-5)

Guidance literature:

With hydrogen; nickel; In ethanol; at 55 - 76 ℃;

upstream raw materials:

ethanol

isoamyl isocyanate

1-amino-3-methylbutane

chloroformic acid ethyl ester

Downstream raw materials:

isoamyl isocyanate

3-methylbutyl urea

N-Nitroso-N-isopentyl-urethan