Carbonochloridic acid, 3-chloropropyl ester

Base Information

• Chemical Name: Carbonochloridic acid, 3-chloropropyl ester
• CAS No.: 628-11-5
• Molecular Formula: C4H6Cl2O2
• Molecular Weight: 156.996
• Hs Code.: 29159000
• European Community (EC) Number: 425-770-9,613-087-0
• DSSTox Substance ID: DTXSID1060847
• Nikkaji Number: J95.781J
• Wikidata: Q72458016
• Mol file: 628-11-5.mol

Synonyms:3-Chloropropyl chloroformate;628-11-5;3-chloropropyl carbonochloridate;Carbonochloridic acid, 3-chloropropyl ester;3-Chloro-1-propyl chloroformate;3-CHLOROPROPYLCHLOROFORMATE;3-chloropropyl chloroformiate;Formic acid, chloro-, 3-chloropropyl ester;(3-Chloropropoxy)carbonyl chloride;chlorocarbonic acid 3-chloro-propyl ester;EC 425-770-9;Chloroformic Acid 3-Chloropropyl Ester;3-chlorpropylchlorocarbonat;SCHEMBL396209;gamma-chloropropyl chloroformate;3-Chloropropyl chloridocarbonate;DTXSID1060847;3-Chloropropyl chloridocarbonate #;3-Chloropropyl chloroformate, 97%;MFCD02093717;AKOS009156744;CS-W017983;AS-16033;C1983;FT-0688095;EN300-53872;D89474;A914765

Chemical Property of Carbonochloridic acid, 3-chloropropyl ester

Chemical Property:

• Vapor Pressure: 0.15 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 177.8 °C at 760 mmHg
• Flash Point: 74.5 °C
• PSA: 26.30000
• Density: 1.299 g/cm³
• LogP: 1.99070
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 155.9744848
• Heavy Atom Count: 8
• Complexity: 74.4

Purity/Quality:

99% ^*data from raw suppliers

3-Chloropropyl Chloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(COC(=O)Cl)CCl

Technology Process of Carbonochloridic acid, 3-chloropropyl ester

There total 3 articles about Carbonochloridic acid, 3-chloropropyl 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: 90.0%

trimethylene oxide (503-30-0) + trichloromethyl chloroformate (503-38-8) → 3-chloropropyl chloroformate (628-11-5)

Guidance literature:

pentabutyl propyl guanidinium chloride; silica gel; at 50 ℃; for 6h;

DOI:10.1021/jo00096a040

Reference yield:

phosgene (75-44-5) + 1-chloro-3-hydroxypropane (627-30-5) → 3-chloropropyl chloroformate (628-11-5)

Guidance literature:

With toluene;

Reference yield:

phosgene (75-44-5) + 1-chloro-3-hydroxypropane (627-30-5) → carbonic acid bis-(3-chloro-propyl ester) (626-83-5) + 3-chloropropyl chloroformate (628-11-5)

Guidance literature:

upstream raw materials:

phosgene

1-chloro-3-hydroxypropane

trimethylene oxide

trichloromethyl chloroformate

Downstream raw materials:

p-tolyl-carbamic acid-(3-chloro-propyl ester)

(2-chloro-phenyl)-carbamic acid-(3-chloro-propyl ester)

cyclohexyl-phenyl-carbamic acid-(3-chloro-propyl ester)

N-[4-(3-chloropropoxycarbonylamino)-2-nitrophenyl]morpholine

Refernces