Benzyl dichlorophosphate

Base Information

• Chemical Name: Benzyl dichlorophosphate
• CAS No.: 52692-02-1
• Molecular Formula: C7H7Cl2O2P
• Molecular Weight: 225.011
• DSSTox Substance ID: DTXSID00517946
• Wikidata: Q82380248
• Mol file: 52692-02-1.mol

Synonyms:52692-02-1;Benzyl dichlorophosphate;dichlorophosphoryloxymethylbenzene;Phosphorodichloridic acid, phenylmethyl ester;Benzyl phosphorodichloridate;SCHEMBL698590;DTXSID00517946;ISCACRDMGTYTHJ-UHFFFAOYSA-N

Chemical Property of Benzyl dichlorophosphate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 223.9560718
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl dichlorophosphate

There total 1 articles about Benzyl dichlorophosphate 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:

benzyl alcohol (100-51-6,185532-71-2) → benzyl phosphorodichloride (52692-02-1)

Guidance literature:

With triethylamine; trichlorophosphate; In benzene; for 1h; Ambient temperature;

DOI:10.1021/jm00359a010

Reference yield: 89.8%

isopropyl L-alanine (39825-33-7) + benzyl phosphorodichloride (52692-02-1) → C13H19ClNO4P

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 25 ℃; for 2.5h;

Reference yield: 71.0%

ethyleneimine (151-56-4,9002-98-6) + benzyl phosphorodichloride (52692-02-1) → benzyl N,N'-bis(ethylene)phosphorodiamidate (84681-48-1)

Guidance literature:

With triethylamine; In benzene; for 0.5h; Ambient temperature;

DOI:10.1021/jm00359a010

upstream raw materials:

benzyl alcohol

Downstream raw materials:

benzyl N,N'-bis(ethylene)phosphorodiamidate

benzyl N,N’-bis(2-chloroethyl)phosphorodiamidate

dibenzyl phosphochloridate

Refernces

• 1、 -. "Heterocyclic amide compound, pharmaceutical composition containing heterocyclic amide compound, preparation method of heterocyclic amide compound and application of heterocyclic amide compound". Paragraph 0328-0331. . Retrieved 2020/04/17.
• 2、 Peng, Youmei,Yu, Wenquan,Li, Ertong,Kang, Jinfeng,Wang, Yafeng,Yang, Qinghua,Liu, Bingjie,Zhang, Jingmin,Li, Longyu,Wu, Jie,Jiang, Jinhua,Wang, Qingduan,Chang, Junbiao. "Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2′-Deoxyuridine for the Treatment of Hepatocellular Carcinoma". . p. 3661 - 3670. Retrieved 2016/05/19.