1,3-Dimethylbutyl chloroformate

Base Information

• Chemical Name: 1,3-Dimethylbutyl chloroformate
• CAS No.: 84000-72-6
• Molecular Formula: C7H13 Cl O2
• Molecular Weight: 164.632
• Hs Code.: 2915900090
• European Community (EC) Number: 281-628-4
• DSSTox Substance ID: DTXSID101004264
• Nikkaji Number: J332.942I
• Mol file: 84000-72-6.mol

Synonyms:84000-72-6;1,3-Dimethylbutyl chloroformate;4-methylpentan-2-yl carbonochloridate;4-METHYLPENTAN-2-YL CHLOROFORMATE;EINECS 281-628-4;isobutyl ethyl chloroformate;SCHEMBL6665926;DTXSID101004264;4-methylpentan-2-ylcarbonochloridate;AKOS020226849;Chloroformic acid 1,3-dimethylbutyl ester;EN300-210113

Chemical Property of 1,3-Dimethylbutyl chloroformate

Chemical Property:

• Vapor Pressure: 1.19mmHg at 25°C
• Boiling Point: 174.8°C at 760 mmHg
• Flash Point: 53°C
• PSA: 26.30000
• Density: 1.03g/cm³
• LogP: 2.79640
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98%Min ^*data from raw suppliers

4-methylpentan-2-ylchloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)OC(=O)Cl

Technology Process of 1,3-Dimethylbutyl chloroformate

There total 2 articles about 1,3-Dimethylbutyl chloroformate 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:

Methyl isobutyl carbinol (108-11-2,72847-31-5) + bis(trichloromethyl) carbonate (32315-10-9) → chlorocarbonic acid-(1,3-dimethyl-butyl ester) (84000-72-6)

Guidance literature:

With pyridine; In toluene; at 0 - 20 ℃;

DOI:10.1021/jacs.0c04448

Reference yield:

Methyl isobutyl carbinol (108-11-2,72847-31-5) + phosgene (75-44-5) → chlorocarbonic acid-(1,3-dimethyl-butyl ester) (84000-72-6)

Guidance literature:

DOI:10.1021/ja01123a028

upstream raw materials:

Methyl isobutyl carbinol

phosgene

bis(trichloromethyl) carbonate

Refernces