(4-Chlorophenyl)methyl carbonochloridate

Base Information

• Chemical Name: (4-Chlorophenyl)methyl carbonochloridate
• CAS No.: 6200-36-8
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• European Community (EC) Number: 845-351-8
• DSSTox Substance ID: DTXSID60535247
• Wikidata: Q82409451
• Mol file: 6200-36-8.mol

Synonyms:4-chlorobenzyl carbonochloridate;6200-36-8;(4-Chlorophenyl)methyl carbonochloridate;(4-chlorophenyl)methyl chloroformate;4-Chlorobenzyl Chloroformate;4-chlorobenzylcarbonochloridate;SCHEMBL137476;DTXSID60535247;IJWMYYIUFNJDKN-UHFFFAOYSA-N;AKOS020226197;EN300-220240

Chemical Property of (4-Chlorophenyl)methyl carbonochloridate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)Cl)Cl

Technology Process of (4-Chlorophenyl)methyl carbonochloridate

There total 3 articles about (4-Chlorophenyl)methyl carbonochloridate 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:

phosgene (75-44-5) + para-Chlorobenzyl alcohol (873-76-7) → p-chloro-carbobenzoxy chloride (6200-36-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In diethyl ether;

DOI:10.1016/j.bmcl.2004.08.027

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 4-chloro-phenol (106-48-9,82344-39-6) → p-chloro-carbobenzoxy chloride (6200-36-8)

Guidance literature:

With pyridine; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 8h;

Reference yield:

→ p-chloro-carbobenzoxy chloride (6200-36-8)

Guidance literature:

4-Chlorbenzyl alkohol, Phosgen/Et2O;

DOI:10.1002/jsfa.2740170111

upstream raw materials:

phosgene

para-Chlorobenzyl alcohol

bis(trichloromethyl) carbonate

4-chloro-phenol

Downstream raw materials:

N-(4-chloro-benzyloxycarbonyl)-leucine

N-(4-chloro-benzyloxycarbonyl)-phenylalanine

carbonic acid-(5-acetyl-[8]quinolyl ester)-(4-chloro-benzyl ester)

p-Chlorbenzyloxycarbonyl-dimethyldithiocarbamat

Refernces

• 1、 -. "A paclitaxel and model phthalazine ketone BTK inhibitor combination pharmaceutical composition and its application (by machine translation)". Paragraph 0033; 0035. . Retrieved 2019/02/04.
• 2、 -. "NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES". Page/Page column 48. . Retrieved 2009/12/05.