1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene

Base Information

• Chemical Name: 1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene
• CAS No.: 69127-70-4
• Molecular Formula: C10H7F7S
• Molecular Weight: 292.22
• DSSTox Substance ID: DTXSID50510280
• Nikkaji Number: J694.791C
• Wikidata: Q82368463

Synonyms:69127-70-4;1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene;DTXSID50510280

Chemical Property of 1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 292.01566853
• Heavy Atom Count: 18
• Complexity: 278

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: CC1=CC=C(C=C1)SC(C(C(F)(F)F)(F)F)(F)F

Technology Process of 1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene

There total 3 articles about 1-[(Heptafluoropropyl)sulfanyl]-4-methylbenzene 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: 83.0%

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane (754-34-7) + para-thiocresol (106-45-6) → p-tolyl perfluoropropyl sulfide (69127-70-4)

Guidance literature:

With sodium hydroxide; triethylbenzyl ammonium chloride; In diethyl ether; water; for 0.5h; Irradiation;

DOI:10.1016/S0022-1139(00)81521-3

Reference yield:

sodium p-thiocresolate (10486-08-5) + heptafluoro-n-propyl-p-tolyliodonium chloride (34061-07-9) → p-tolyl perfluoropropyl sulfide (69127-70-4)

Guidance literature:

DOI:10.1055/s-1978-24907

Reference yield:

sodium p-thiocresolate (10486-08-5) + perfluoropropyl(tetracarbonyl)iron tetrafluoroborate → p-tolyl perfluoropropyl sulfide (69127-70-4)

Guidance literature:

Yield given. Multistep reaction; 1) C₂Cl₂, -78 deg C raised to 20 deg C and stirred 1 h 2) pyrolysis at 150 deg C for 1 h;

upstream raw materials:

sodium p-thiocresolate

heptafluoro-n-propyl-p-tolyliodonium chloride

1,1,1,2,2,3,3-heptafluoro-3-iodo-propane

para-thiocresol

Downstream raw materials:

4-(4-tolyl)anisole

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