4-Methoxybenzyl carbonochloridate

Base Information

• Chemical Name: 4-Methoxybenzyl carbonochloridate
• CAS No.: 15586-16-0
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• DSSTox Substance ID: DTXSID701220191
• Nikkaji Number: J31.475G
• Mol file: 15586-16-0.mol

Synonyms:4-methoxybenzyl carbonochloridate;15586-16-0;Carbonochloridic acid, (4-methoxyphenyl)methyl ester;p-methoxybenzyl chloroformate;(4-methoxyphenyl)methyl carbonochloridate;4-methoxybenzyloxycarbonyl chloride;SCHEMBL722902;4-methoxybenzyl chloridocarbonate;BOVISBAPSYSQPI-UHFFFAOYSA-N;DTXSID701220191;(4-methoxyphenyl)methyl chloroformate;ZB1714;AKOS020226189;BS-52678;D81342

Chemical Property of 4-Methoxybenzyl carbonochloridate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC(=O)Cl

Technology Process of 4-Methoxybenzyl carbonochloridate

There total 4 articles about 4-Methoxybenzyl 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: 98.0%

→ 4-methoxybenzyloxycarbonyl chloride (15586-16-0)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 10 ℃; for 13h;

Reference yield: 95.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyloxycarbonyl chloride (15586-16-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c9ob00628a

Reference yield:

phosgene (75-44-5) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyloxycarbonyl chloride (15586-16-0)

Guidance literature:

With N,N-dimethyl-aniline; In diethyl ether;

DOI:10.1246/bcsj.42.278

upstream raw materials:

phosgene

4-Methoxybenzyl alcohol

4-methoxy-phenol

bis(trichloromethyl) carbonate

Downstream raw materials:

1,2,3-trimethoxy-5-(4-methoxybenzyl)benzene

4-(4-methoxyphenylmethyl)benzonitrile

C₂₈H₂₄N₆O₇

C₂₉H₃₆O₇

Refernces

• 1、 -. "Preparation method of alicyclic and aromatic-aliphatic chloroformate". Paragraph 0062-0063; 0076-0077; 0090-0091. . Retrieved 2017/05/16.
• 2、 Ben, Li,Jones, Eric Dale,Zhou, Enkun,Li, Chen,Baylis, Dean Cameron,Yu, Shanghai,Wang, Miao,He, Xing,Coates, Jonathan Alan Victor,Rhodes, David Ian,Pei, Gang,Deadman, John Joseph,Xie, Xin,Ma, Dawei. "Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents". scheme or table. p. 4012 - 4014. Retrieved 2010/08/19.