1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane

Base Information

• Chemical Name: 1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane
• CAS No.: 423-31-4
• Molecular Formula: C4HClF8
• Molecular Weight: 236.492
• Hs Code.: 2903799090
• European Community (EC) Number: 671-638-0
• DSSTox Substance ID: DTXSID4075245
• Nikkaji Number: J28.282K
• Wikidata: Q82003252
• Mol file: 423-31-4.mol

Synonyms:1-Chloro-4H-octafluorobutane;423-31-4;1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane;HCFC 328lcc;1-Hydro-4-chlorooctafluorobutane;Butane, 1-chloro-1,1,2,2,3,3,4,4-octafluoro-;C4HClF8;SCHEMBL537557;DTXSID4075245;NNMVWNQEVYZFRC-UHFFFAOYSA-N;MFCD00155682;AKOS007930102;(-)-METHYL(R)-3-HYDROXYPENTANOATE;FT-0632117;1-chloro-1,1,2,2,3,3,4,4-octafluoro-butane;A825855

Chemical Property of 1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane

Chemical Property:

• Vapor Pressure: 289mmHg at 25°C
• Refractive Index: 1.283
• Boiling Point: 51.5 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.576 g/cm³
• LogP: 3.35370
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 235.9639030
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98% ^*data from raw suppliers

1-Chloro-4H-octafluorobutane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F

Technology Process of 1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane

There total 12 articles about 1-Chloro-1,1,2,2,3,3,4,4-octafluorobutane 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: 59.1%

1-chloro-4-iodo-1,1,2,2,3,3,4,4-octafluorobutane (5848-38-4) + cyclohexene (110-83-8) → 1-chloro-1,1,2,2,3,3,4,4-octafluorobutane (423-31-4) + 1-(4-Chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-2-iodo-cyclohexane (104729-80-8) + (4-Chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-cyclohexane

Guidance literature:

copper; In acetic anhydride; at 100 ℃; for 6.5h; Product distribution; Mechanism; reactions of derivatives with olefins presence of hydroquinone or p-DNB;

DOI:10.1016/S0022-1139(00)81130-6

Reference yield: 55.0%

1-chloro-4-iodo-1,1,2,2,3,3,4,4-octafluorobutane (5848-38-4) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → 1-chloro-1,1,2,2,3,3,4,4-octafluorobutane (423-31-4) + 4-(4-chlorooctafluorobutyl)-N,N-dimethylaniline (155085-88-4) + 2-(4-chlorooctafluorobutyl)-N,N-dimethylaniline

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Irradiation;

Reference yield: 54.0%

1-chloro-4-iodo-1,1,2,2,3,3,4,4-octafluorobutane (5848-38-4) + N-methylaniline (100-61-8) → 1-chloro-1,1,2,2,3,3,4,4-octafluorobutane (423-31-4) + 4-(4-chlorooctafluorobutyl)-N-methylaniline + 2-(4-chlorooctafluorobutyl)-N-methylaniline

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Irradiation;

upstream raw materials:

Allyl ether

1-chloro-4-iodo-1,1,2,2,3,3,4,4-octafluorobutane

diethyl-cyclohexyl-amine

bis-ethoxycarbonyl-methanide

Downstream raw materials:

ethyl 2-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)benzoate

1,4-Dimethyl-2-(1,1,2,2,3,3,4,4-octafluoro-butyl)-benzene

Refernces

• 1、 Chen, Qing-Yun,Li, Zhan-Ting,Zhou, Cheng-Min. "Complexation and Photoinduced Electron-transfer Reaction between Perfluoroalkyl Iodides and N,N,N',N'-Tetramethylphenylene-1,4-diamine, Anilines and Piperazines". . p. 2457 - 2462. Retrieved 2007/10/02.
• 2、 Zhou, Qi-Lin,Huang, Yao-Zeng. "A FACILE METHOD FOR FLUOROALKYLATION OF ANILINE AND ITS DERIVATIVES". . p. 87 - 98. Retrieved 2007/10/02.