Benzene, 1,3-difluoro-2-(methylthio)-

Base Information

• Chemical Name: Benzene, 1,3-difluoro-2-(methylthio)-
• CAS No.: 91524-69-5
• Molecular Formula: C7H6F2S
• Molecular Weight: 160.187
• DSSTox Substance ID: DTXSID90532007
• Wikidata: Q82404286

Synonyms:91524-69-5;Benzene, 1,3-difluoro-2-(methylthio)-;2,6-Difluorothioanisole;(2,6-difluorophenyl)(methyl)sulfane;1,3-difluoro-2-methylsulfanylbenzene;1,3-difluoro-2-methylsulfanyl-benzene;SCHEMBL3122412;DTXSID90532007;NEAPSYZUBNNAIH-UHFFFAOYSA-N;1,3-Difluoro-2-(methylsulfanyl)benzene;E97821

Chemical Property of Benzene, 1,3-difluoro-2-(methylthio)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.01582769
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=CC=C1F)F

Technology Process of Benzene, 1,3-difluoro-2-(methylthio)-

There total 3 articles about Benzene, 1,3-difluoro-2-(methylthio)- 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: 91.0%

2,6-difluorobenzenethiol (172366-44-8) + methyl iodide (74-88-4) → 1,3-difluoro-2-(methylsulfanyl)benzene (91524-69-5)

Guidance literature:

With triethylamine; In water; at 30 ℃; for 16h;

Reference yield: 88.0%

Dimethyldisulphide (624-92-0) + 1,3-Difluorobenzene (372-18-9) → 1,3-difluoro-2-(methylsulfanyl)benzene (91524-69-5)

Guidance literature:

1,3-Difluorobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h;

Dimethyldisulphide; In tetrahydrofuran;

Reference yield:

2,6-difluoroaniline (5509-65-9) + cuprous methylmercaptide (4856-13-7) → 1,3-difluoro-2-(methylsulfanyl)benzene (91524-69-5)

Guidance literature:

With sulfuric acid; sodium nitrite; Yield given. Multistep reaction; 1.) H2O, 4 deg C, 2.) -> RT, 0.5 h;

upstream raw materials:

2,6-difluoroaniline

cuprous methylmercaptide

Dimethyldisulphide

1,3-Difluorobenzene

Downstream raw materials:

1,3-difluoro-2-(methylsulfinyl)benzene

(4-bromo-2,6-difluorophenyl)(methyl)sulfane

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