Diisopropyl benzothioylamidophosphate

Base Information

• Chemical Name: Diisopropyl benzothioylamidophosphate
• CAS No.: 71039-21-9
• Molecular Formula: C13H20NO3PS
• Molecular Weight: 301.346
• NSC Number: 650440
• DSSTox Substance ID: DTXSID50388264
• Nikkaji Number: J1.057.678D
• ChEMBL ID: CHEMBL1974442
• Mol file: 71039-21-9.mol

Synonyms:Diisopropyl benzothioylamidophosphate;NSC650440;Thiobenzoyl-phosphoramidic acid diisopropyl ester;71039-21-9;CHEMBL1974442;DTXSID50388264;JQNWBPBVDCWKDM-UHFFFAOYSA-N;Diisopropyl benzothioylamidophosphate #;N-(Diisopropoxyphosphinyl)thiobenzamide;N-(diisopropoxyphosphoryl)thiobenzamide;NSC-650440;NCI60_017558;N-diisopropoxyphosphorylbenzenecarbothioamide;SR-01000316005;SR-01000316005-1

Chemical Property of Diisopropyl benzothioylamidophosphate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 301.09015167
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OP(=O)(NC(=S)C1=CC=CC=C1)OC(C)C

Technology Process of Diisopropyl benzothioylamidophosphate

There total 9 articles about Diisopropyl benzothioylamidophosphate 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: 4.0%

O,O-diisopropylphosphorothioic acid (4486-44-6) + benzonitrile (100-47-0) → O,O,O,O-tetraisopropyl thiopyrophosphate (22665-50-5) + N-diisopropoxyphosphorylthiobenzamide (71039-21-9) + benzenecarbothioamide (2227-79-4)

Guidance literature:

In benzene; Yield given; Ambient temperature;

Reference yield:

C13H19NO2PS2(1-)*C24H20P(1+) (1246609-31-3) → N-diisopropoxyphosphorylthiobenzamide (71039-21-9) + Triphenylphosphine oxide (791-28-6)

Guidance literature:

With water; In ethanol; for 48h;

DOI:10.1002/hc.20607

Reference yield:

N-(diisopropoxythiophosphoryl)thiobenzamide (66078-55-5) → N-diisopropoxyphosphorylthiobenzamide (71039-21-9)

Guidance literature:

With sodium hydroxide; iodine; Yield given. Multistep reaction; 1.) isopropanol, 2.) isopropanol;

upstream raw materials:

N-(diisopropoxythiophosphoryl)thiobenzamide

O,O-diisopropylphosphorothioic acid

benzonitrile

S-tert-butyl N-diisopropoxythiophosphorylbenzimidothioate

Downstream raw materials:

N-diisopropoxyphosphoryl-S-methylbenzimidothioate

Hg{C₆H₅C(S)NP(O)(OCH(CH₃)2)2}2

N-(O,O'-diisopropylphosphoryl)thiobenzamide palladium(II)complex

[Cd(N-(diisopropoxyphosphorylthiobenzamide)2(N-(diisopropoxyphosphoryl)thiobenzamide-H)2]