4-Fluorobenzenecarbodithioic acid phenylmethyl ester

Base Information

• Chemical Name: 4-Fluorobenzenecarbodithioic acid phenylmethyl ester
• CAS No.: 305378-88-5
• Molecular Formula: C14H11FS2
• Molecular Weight: 262.372
• DSSTox Substance ID: DTXSID90460977
• Nikkaji Number: J1.445.446B
• Mol file: 305378-88-5.mol

Synonyms:4-Fluorobenzenecarbodithioic acid phenylmethyl ester;305378-88-5;benzyl-4-fluorodithiobenzoate;SCHEMBL7573418;DTXSID90460977;QGFPQZFAGJCQRB-UHFFFAOYSA-N;benzyl 4-fluorobenzenecarbodithioate

Chemical Property of 4-Fluorobenzenecarbodithioic acid phenylmethyl ester

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.02862086
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(=S)C2=CC=C(C=C2)F

Technology Process of 4-Fluorobenzenecarbodithioic acid phenylmethyl ester

There total 4 articles about 4-Fluorobenzenecarbodithioic acid phenylmethyl 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: 84.0%

4-Fluorobenzoic acid (456-22-4) + phenylmethanethiol (100-53-8) → benzyl 4-fluorodithiobenzoate (305378-88-5)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; at 110 ℃; for 4h;

DOI:10.1021/ol006407q

Reference yield: 72.0%

4-Fluorobenzoic acid (456-22-4) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 4-fluorodithiobenzoate (305378-88-5)

Guidance literature:

With tetraphosphorus decasulfide; In benzene; at 80 ℃; for 8h;

DOI:10.1021/ol006407q

Reference yield: 52.0%

4-Fluorobenzoic acid (456-22-4) → benzyl 4-fluorodithiobenzoate (305378-88-5)

Guidance literature:

With diphosphorus pentasulfide; benzyl alcohol; In benzene;

upstream raw materials:

4-Fluorobenzoic acid

phenylmethanethiol

benzyl alcohol

3,4-dimethoxybenzenecarbodithioic acid benzyl ester

Downstream raw materials:

O-methyl 4-fluorobenzothiono ester

4-Fluorobenzoic acid