2,2,3,3,4,4,5,5-Octafluoropentyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5-Octafluoropentyl 4-methylbenzenesulfonate
• CAS No.: 2264-00-8
• Molecular Formula: C12H10 F8 O3 S
• Molecular Weight: 386.263
• Hs Code.: 2905590090
• DSSTox Substance ID: DTXSID50379733
• Wikidata: Q82169677
• Mol file: 2264-00-8.mol

Synonyms:2264-00-8;1h,1h,5h-octafluoropentyl p-toluenesulfonate;2,2,3,3,4,4,5,5-octafluoropentyl 4-methylbenzenesulfonate;2,2,3,3,4,4,5,5-octafluoropentyl 4-methylbenzene-1-sulfonate;DTXSID50379733;MANGANESE(II)LACTATETRIHYDRATE;MFCD00378586;AKOS000348955;SB85576;CS-0336340;FT-0676216;2,2,3,3,4,4,5,5-Octafluoropentyl tosylate;EN300-7398948;2,2,3,3,4,4,5,5-octafluoropentyl4-methylbenzenesulfonate;1-Pentanol,2,2,3,3,4,4,5,5-octafluoro-, 1-(4-methylbenzenesulfonate)

Chemical Property of 2,2,3,3,4,4,5,5-Octafluoropentyl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 7.67E-05mmHg at 25°C
• Melting Point: 8-12
• Refractive Index: 1.4325
• Boiling Point: 157/5mm
• Flash Point: >110
• PSA: 51.75000
• Density: 1.5127
• LogP: 4.95210
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 386.02229065
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

98%min ^*data from raw suppliers

1H,1H,5H-Octafluoropentylp-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,3,3,4,4,5,5-Octafluoropentyl 4-methylbenzenesulfonate

There total 2 articles about 2,2,3,3,4,4,5,5-Octafluoropentyl 4-methylbenzenesulfonate 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: 90.0%

2,2,3,3,4,4,5,5-octafluoropentan-1-ol (355-80-6) + p-toluenesulfonyl chloride (98-59-9) → 2,2,3,3,4,4,5,5-octafluoropentyl p-toluenesulfonate (2264-00-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.3998/ark.5550190.p009.771

Reference yield:

→ 2,2,3,3,4,4,5,5-octafluoropentyl p-toluenesulfonate (2264-00-8)

Guidance literature:

Reference yield: 76.0%

2,2,3,3,4,4,5,5-octafluoropentyl p-toluenesulfonate (2264-00-8) → 1-iodo-2,2,3,3,4,4,5,5-octafluoropentane (678-74-0)

Guidance literature:

With potassium iodide; In diethylene glycol; Heating;

upstream raw materials:

2,2,3,3,4,4,5,5-octafluoropentan-1-ol

p-toluenesulfonyl chloride

Downstream raw materials:

1-iodo-2,2,3,3,4,4,5,5-octafluoropentane

1-chloro-1H,1H,5H-perfluoropentane

(2,2,3,3,4,4,5,5-Octafluoro-pentylsulfanylmethyl)-benzene

1-benzylthio-3,3,4,4,5,5-hexafluoro-1-pentyne

Refernces

• 1、 Tomaszewska, Joanna,Koroniak-Szejn, Katarzyna,Koroniak, Henryk. "Fluorinated organic azides-their preparation and synthetic applications". . p. 421 - 432. Retrieved 2017/03/09.
• 2、 Puy, Michael Van Der,Poss, Andrew J.,Persichini, Phillip J.,Ellis, Lois A. S.. "Estimation of hydrocarbon solubilities in hydrofluorocarbons". . p. 215 - 224. Retrieved 2007/10/02.