Butanoyl fluoride, heptafluoro-

Base Information

• Chemical Name: Butanoyl fluoride, heptafluoro-
• CAS No.: 335-42-2
• Molecular Formula: C4F8O
• Molecular Weight: 216.031
• Hs Code.: 2915900090
• European Community (EC) Number: 206-390-0
• UNII: 5MF7TJQ3P7
• DSSTox Substance ID: DTXSID0041696
• Nikkaji Number: J26.718J
• Wikidata: Q27262562
• Mol file: 335-42-2.mol

Synonyms:Heptafluorobutyryl fluoride;335-42-2;Butanoyl fluoride, heptafluoro-;Heptafluorobutanoyl fluoride;Perfluorobutyryl fluoride;2,2,3,3,4,4,4-Heptafluorobutanoyl fluoride;Perfluorobutanoyl fluoride;heptafluorobutyroyl fluoride;UNII-5MF7TJQ3P7;5MF7TJQ3P7;Butanoyl fluoride, 2,2,3,3,4,4,4-heptafluoro-;EINECS 206-390-0;Octafluorobutan-1-one;HEPTAFLUOROBUTYRYLFLUORIDE;n-C3F7COF;SCHEMBL426883;DTXSID0041696;MFCD01631693;BUTYRYL FLUORIDE, HEPTAFLUORO-;AKOS007930634;FT-0676403;2,2,3,3,4,4,4-Heptafluorobutanoyl fluoride #;Q27262562

Chemical Property of Butanoyl fluoride, heptafluoro-

Chemical Property:

• Vapor Pressure: 808mmHg at 25°C
• Boiling Point: 23.3°Cat760mmHg
• Flash Point: °C
• PSA: 17.07000
• Density: 1.595g/cm³
• LogP: 2.31540
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 215.98213992
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

Heptafluorobutyryl fluoride 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)F

Technology Process of Butanoyl fluoride, heptafluoro-

There total 49 articles about Butanoyl fluoride, heptafluoro- 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: 100.0%

tetraethylammonium perfluoroisobutenolate + heptafluorobutyric anhydride (336-59-4) → perfluorobutyryl fluoride (335-42-2) + C10F17O2(1-)*C8H20N(1+)

Guidance literature:

With 2.) acid; at 100 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(00)80922-7

Reference yield: 100.0%

tetraethylammonium perfluoroisobutenolate + heptafluorobutyric anhydride (336-59-4) → perfluorobutyryl fluoride (335-42-2) + 1,1-bis(perfluorobutyroyl)-2,2,2-trifluoroethane

Guidance literature:

With 2.) acid; at 100 ℃;

DOI:10.1016/S0022-1139(00)80922-7

Reference yield: 95.0%

Perfluoro-cis-2-n-butyl-3-n-propyloxaziridine (143813-70-1,145733-84-2) + Hexafluoroacetone (684-16-2) → perfluorobutyryl fluoride (335-42-2) + perfluoro-2-methyl-3-oxa-4-azaoct-4-ene

Guidance literature:

With cesium fluoride; In acetonitrile; at 22 ℃; for 2h; Yields of byproduct given;

upstream raw materials:

butanoic acid anhydride

heptafluorobutyric Acid

butyric acid

Carbonyl fluoride

Downstream raw materials:

heptafluoro-butyric acid-(4-bromo-anilide)

diethyl fluorophosphate

triethyl phosphate

diethyl ester of pentafluoroisopropenylphosphonic acid

Refernces

• 1、 Lazzari, Dario,Cassani, Maria Cristina,Bertola, Maurizio,Moreno, Francisco Casado,Torrente, Damiano. "Homogeneous catalytic hydrogenation of perfluoro methyl esters". . p. 15582 - 15584. Retrieved 2013.
• 2、 Zhou, Min,Ni, Chuanfa,Zeng, Yuwen,Hu, Jinbo. "Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent". supporting information. p. 6801 - 6805. Retrieved 2018/05/31.