1-Chloro-2-methylpropyl chloroformate

Base Information

• Chemical Name: 1-Chloro-2-methylpropyl chloroformate
• CAS No.: 92600-11-8
• Molecular Formula: C5H8 Cl2 O2
• Molecular Weight: 171.023
• Hs Code.: 29159000
• DSSTox Substance ID: DTXSID50369851
• Mol file: 92600-11-8.mol

Synonyms:1-Chloro-2-methylpropyl chloroformate;92600-11-8;(1-chloro-2-methylpropyl) carbonochloridate;1-chloro-2-methylpropyl carbonochloridate;MFCD00012387;SCHEMBL25807;DTXSID50369851;BBL100466;GEO-04245;STL554260;AKOS005254577;1-Chloro-2-methylpropyl chloroformate, 98%;FT-0642226;Carbonochloridic acid,1-chloro-2-methylpropyl ester

Chemical Property of 1-Chloro-2-methylpropyl chloroformate

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Vapor Pressure: 1.98mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 164.3 °C at 760 mmHg
• Flash Point: 128 °F
• PSA: 26.30000
• Density: 1.173 g/mL at 25 °C(lit.)
• LogP: 2.58270
• Storage Temp.: Refrigerator (+4°C) + Flammables area
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 169.9901349
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-2-methylpropyl chloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 10-23/24/25-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Chloro-2-methylpropyl chloroformate

There total 2 articles about 1-Chloro-2-methylpropyl 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: 71.5%

bis(trichloromethyl) carbonate (32315-10-9) + isobutyraldehyde (78-84-2) → 1-Chloro-2-Methylpropyl Chloroformate (92600-11-8)

Guidance literature:

With pyridine; In dichloromethane; at -20 - -2 ℃; for 20h; Inert atmosphere;

Reference yield: 52.0%

phosgene (75-44-5) + isobutyraldehyde (78-84-2) → 1-Chloro-2-Methylpropyl Chloroformate (92600-11-8)

Guidance literature:

With pyridine; In tetrachloromethane;

Reference yield: 100.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Chloro-2-Methylpropyl Chloroformate (92600-11-8) → 1-chloro-2-methylpropyl(4-nitrophenyl)carbonate (478296-54-7)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 1.5h;

upstream raw materials:

phosgene

isobutyraldehyde

bis(trichloromethyl) carbonate

Downstream raw materials:

1-chloro-2-methylpropyl(4-nitrophenyl)carbonate

N-α-Chloroisobutyloxycarbonyl-N-methylcyclohexylamine

1-chloro-2-methylpropyl 4-(methylthio)phenyl carbonate

1-{[(α-chloroisobutoxy)carbonyl]aminomethyl}-1-cyclohexaneacetic acid

Refernces

• 1、 Poras, Hervé,Bonnard, Elisabeth,Dangé, Emilie,Fournié-Zaluski, Marie-Claude,Roques, Bernard P.. "New orally active dual enkephalinase inhibitors (DENKIs) for central and peripheral pain treatment". supporting information. p. 5748 - 5763. Retrieved 2014/08/05.