Heptafluorobutyramide

Base Information

• Chemical Name: Heptafluorobutyramide
• CAS No.: 662-50-0
• Molecular Formula: C4H2 F7 N O
• Molecular Weight: 213.055
• Hs Code.: 2924190090
• European Community (EC) Number: 211-553-4
• NSC Number: 9451
• UNII: UT3XBZ8TFD
• DSSTox Substance ID: DTXSID2060965
• Nikkaji Number: J42.764K
• Wikidata: Q81985283
• ChEMBL ID: CHEMBL172045
• Mol file: 662-50-0.mol

Synonyms:2,2,3,3,4,4,4-heptafluorobutanamide;butanamide, 2,2,3,3,4,4,4-heptafluoro-;heptafluorobutyramide;perfluorobutyramide

Chemical Property of Heptafluorobutyramide

Chemical Property:

• Vapor Pressure: 30.1mmHg at 25°C
• Melting Point: 103 °C
• Boiling Point: 105 °C at 760 mmHg
• PKA: 12.43±0.50(Predicted)
• Flash Point: 17.3 °C
• Density: 1.594 g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 213.00246082
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

Heptafluorobutyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Heptafluorobutyramide

There total 15 articles about Heptafluorobutyramide 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: 40.0%

2-aminopyridine (504-29-0) + Perfluoro(5-aza-4-nonene) (103573-07-5) → heptafluorobutyramide (662-50-0) + Heptafluoro-N-pyridin-2-ylbutyramide + 4-Fluoro-2,4-bis(heptafluoropropyl)-4H-pyrido[1,2-a][1,3,5]triazine + 2-Fluoro-2,4-bis(heptafluoropropyl)-2H-pyrido[1,2-a][1,3,5]triazine

Guidance literature:

With triethylamine; In acetonitrile; at 0 - 45 ℃; for 6h;

DOI:10.1016/S0022-1139(99)00310-3

Reference yield: 31.7%

Perfluoro(5-aza-4-nonene) (103573-07-5) + urea (57-13-6) → heptafluorobutyramide (662-50-0) + 4,6-Bis(heptafluoropyl)-1H-[1,3,5]triazin-2-one (47518-92-3) + (2,2,3,3,4,4,4-heptafluoro-butyryl)-urea + 2-Fluoro-4,6-bis(heptafluoropropyl)-1,2-dihydro-[1,3,5]triazin-2-ol

Guidance literature:

With triethylamine; In acetonitrile; at 45 ℃; for 4h;

DOI:10.1016/S0022-1139(99)00310-3

Reference yield:

Perfluoro(5-aza-4-nonene) (103573-07-5) → heptafluorobutyric Acid (375-22-4) + heptafluorobutyramide (662-50-0) + bis-heptafluorobutyryl-amine (336-58-3) + 2,2,3,3,4,4,4-heptafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluoro-butyl)-butyramide

Guidance literature:

With water; In diethyl ether; for 16h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(03)00084-8

upstream raw materials:

perfluorobutyryl fluoride

ethyl heptafluorobutyrate

methyl heptafluorobutyrate

2,2,3,3,4,4,4-heptafluoro-butyrimidic acid methyl ester

Downstream raw materials:

heptafluorobutyronitrile

perfluoropropyl chloride

perfluoropropyl bromide

2,2,3,3,4,4,4-heptafluorobutylamine

Refernces

• 1、 Siedle,Webb, Robert J.,Newmark,Brostrom, Myles,Weil, David A.,Erickson, Kristin,Behr, Fred. E.,Young Jr., Victor G.. "Solvolyis reactions of perfluoro-5-aza-4-nonene, C3 F7-CF=N-C4F9". . p. 175 - 182. Retrieved 2007/10/03.
• 2、 Bowler,Lilley,Pittam,Wakeling. "Novel steroidal pure antiestrogens". . p. 71 - 99. Retrieved 2007/10/02.