4,4,4-Trifluoro-1-butene

Base Information

• Chemical Name: 4,4,4-Trifluoro-1-butene
• CAS No.: 1524-26-1
• Molecular Formula: C4H5 F3
• Molecular Weight: 110.079
• Hs Code.: 2903399090
• European Community (EC) Number: 689-103-5
• DSSTox Substance ID: DTXSID10447083
• Nikkaji Number: J753.987H
• Wikidata: Q82265865
• Mol file: 1524-26-1.mol

Synonyms:4,4,4-trifluorobut-1-ene;1524-26-1;4,4,4-trifluoro-1-butene;1,1,1-TRIFLUOROBUTENE-3;1-Butene,4,4,4-trifluoro-;4,4,4-trifluoro-but-1-ene;4,4,4-tris(fluoranyl)but-1-ene;SCHEMBL726042;SCHEMBL12689575;DTXSID10447083;WCNKHTIPPVQEQW-UHFFFAOYSA-N;4,4,4-Trifluorobut-1-ene 97%;MFCD02262195;4]triazole-3-carboxylicacidmethylester;AKOS006343717;FT-0692354;A809305;A839208

Chemical Property of 4,4,4-Trifluoro-1-butene

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.038g/cm³
• LogP: 2.12480
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.03433465
• Heavy Atom Count: 7
• Complexity: 61.8

Purity/Quality:

98%min ^*data from raw suppliers

4,4,4-Trifluoro-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(F)(F)F

Technology Process of 4,4,4-Trifluoro-1-butene

There total 28 articles about 4,4,4-Trifluoro-1-butene 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: 89.0%

allyl bromodifluoroacetate (155820-76-1) → 4,4,4-trifluorobutene (1524-26-1)

Guidance literature:

With potassium fluoride; copper(l) iodide; In N,N-dimethyl-formamide; at 70 ℃; for 8h;

DOI:10.1039/P19940000725

Reference yield: 85.0%

allyl fluorosulfonyldifluoroacetate (113591-64-3) → 3-fluoropropene (818-92-8) + 4,4,4-trifluorobutene (1524-26-1)

Guidance literature:

With copper(l) iodide; In N,N-dimethyl-formamide; at 50 ℃; for 4h;

DOI:10.1039/P19940000725

Reference yield: 85.0%

allyl iodid (556-56-9) + metyhyl chlorodifluoroacetate (1514-87-0) → 4,4,4-trifluorobutene (1524-26-1)

Guidance literature:

With potassium fluoride; copper(l) iodide; In N,N-dimethyl-formamide; at 110 - 120 ℃; for 8h;

DOI:10.1016/0040-4039(91)80566-O

upstream raw materials:

1-chloro-4,4,4-trifluorobutane

4-chloro-1,1,1-trifluoro-3-iodo-butane

4,4,4-trifluoro-2-iodo-but-1-ene

propene

Downstream raw materials:

4,4,4-trifluorobutanal

4,4,4-trifluorobutan-2-one

Refernces

• 1、 Long, Zheng-Yu,Duan, Jian-Xin,Lin, Yuan-Bin,Guo, Cai-Yun,Chen, Qing-Yun. "Potassium 3-oxa-ω-fluorosulfonylperfluoropentanoate (FO2SCF2CF2OCF2CO2K), a low-temperature trifluoromethylating agent for organic halides; its α-carbon-oxygen bond fragmentation". . p. 177 - 181. Retrieved 1996.
• 2、 Ferguson Bert E Holmes, John D.. "Substituent effects on the disproportionation-combination rate constant ratios for gas-phase halocarbon radicals, Part 5: Reactions of CF3 + CF3CH2CHCH3 and CF3CH2CHCH3 + CF". . p. 549 - 557. Retrieved 2001.
• 3、 Tyrra, Wieland,Naumann, Dieter,Quadt, Silke,Buslei, Sigrid,Yagupolskii, Yurii L.,Kremlev, Mikhail M.. "Fluoride-mediated selective cross-coupling reactions of alkyl halides and trimethyl(perfluoroalkyl)silanes, Me3SiRf (Rf = CF3, C2F5) in the absence of any catalysts". . p. 813 - 817. Retrieved 2008/03/14.
• 4、 -. "PROCESS FOR PRODUCING FLUORINATED ALCOHOL". Page 5. . Retrieved 2010/02/06.