2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate

Base Information

• Chemical Name: 2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate
• CAS No.: 312-66-3
• Molecular Formula: C11H9 F7 O3 S
• Molecular Weight: 354.245
• Hs Code.: 2905590090
• DSSTox Substance ID: DTXSID90366248
• Wikidata: Q82151376
• Mol file: 312-66-3.mol

Synonyms:312-66-3;2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate;2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzenesulfonate;2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzene-1-sulfonate;CBDivE_004876;2,2,3,3,4,4,4-HEPTAFLUOROBUTYLP-TOLUENESULFONATE;DTXSID90366248;heptafluorobutyl-p-toluenesulphonate;MFCD00401637;AKOS015840419;1H,1H-Heptafluorobutyl 4-toluenesulphonate;FT-0676106;A820779;2,2,3,3,4,4,4-heptafluorobutyl-p-toluenesulfonate;2,2,3,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate;2,2,3,3,4,4,4-heptafluorobutyl4-methylbenzenesulfonate;2,2,3,3,4,4,4-heptakis(fluoranyl)butyl 4-methylbenzenesulfonate;4-methylbenzenesulfonic acid 2,2,3,3,4,4,4-heptafluorobutyl ester

Chemical Property of 2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate

Chemical Property:

• Vapor Pressure: 0.000729mmHg at 25°C
• Melting Point: 30-30.5 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.421
• Boiling Point: 317.1°Cat760mmHg
• Flash Point: 145.6°C
• PSA: 51.75000
• Density: 1.465g/cm³
• LogP: 4.61400
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 354.01606245
• Heavy Atom Count: 22
• Complexity: 473

Purity/Quality:

98%Min ^*data from raw suppliers

2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(F)(F)F)(F)F)(F)F

Technology Process of 2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate

There total 1 articles about 2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate 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:

2,2,3,3,4,4,4-heptafluorobutanol (375-01-9) + p-toluenesulfonyl chloride (98-59-9) → toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester) (312-66-3)

Guidance literature:

DOI:10.1021/ja01119a060

Reference yield: 68.0%

toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester) (312-66-3) + phenylmethanethiol (100-53-8) → (2,2,3,3,4,4,4-Heptafluoro-butylsulfanylmethyl)-benzene (200337-06-0)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide;

Reference yield:

toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester) (312-66-3) → 2,2,3,3,4,4,4-heptafluoro-1-iodobutane (374-98-1)

Guidance literature:

With sodium iodide; diethylene glycol; at 220 ℃;

DOI:10.1021/ja01119a060

upstream raw materials:

2,2,3,3,4,4,4-heptafluorobutanol

p-toluenesulfonyl chloride

Downstream raw materials:

2,2,3,3,4,4,4-heptafluoro-1-iodobutane

N-(1H,1H-heptafluoro-butyl)-aniline

Phenyl 2,2,3,3,4,4,4-heptafluorobutyl sulfide

(2,2,3,3,4,4,4-Heptafluoro-butylsulfanylmethyl)-benzene

Refernces