4,4,4-Trifluorobutanoyl chloride

Base Information

• Chemical Name: 4,4,4-Trifluorobutanoyl chloride
• CAS No.: 406-91-7
• Molecular Formula: C4H4ClF3O
• Molecular Weight: 160.523
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID50568261
• Wikidata: Q82454456
• Mol file: 406-91-7.mol

Synonyms:4,4,4-trifluorobutanoyl chloride;406-91-7;Butanoyl chloride, 4,4,4-trifluoro-;4,4,4-trifluorobutyryl chloride;4,4,4-trifluorobutyric acid chloride;MFCD00092810;SCHEMBL330245;4,4,4-trifluorobutanoylchloride;AMY6900;DTXSID50568261;4,4, 4-trifluorobutyryl chloride;AKOS015050444;SY317585;E70329

Chemical Property of 4,4,4-Trifluorobutanoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.09430
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 159.9902769
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

98% ^*data from raw suppliers

4,4,4-TrifluorobutyrylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(F)(F)F)C(=O)Cl
• Uses: 4,4,4-Trifluorobutyryl Chloride can be used in the preparation of hydrazide compounds with pyriproxyfen useful for pest control.

Technology Process of 4,4,4-Trifluorobutanoyl chloride

There total 1 articles about 4,4,4-Trifluorobutanoyl chloride 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:

oxalyl dichloride (79-37-8) + 4,4,4-trifluorobutyric acid (406-93-9) + ethyl 4,4,4-trifluorobutanoate (371-26-6) → 4,4,4-trifluorobutanoyl chloride (406-91-7)

Guidance literature:

With sodium hydroxide; sulfuric acid; In water; benzene;

Reference yield: 68.0%

4,4,4-trifluorobutanoyl chloride (406-91-7) + 2-(1-(2-fluorobenzyl)-5-(isoxazol-3-yl)-1H-pyrazol-3-yl)pyrimidine-4,5-diamine (1354089-01-2) → C21H17F4N7O2 (1446359-66-5)

Guidance literature:

In dichloromethane; at 20 ℃;

Reference yield: 66.0%

4,4,4-trifluorobutanoyl chloride (406-91-7) + 4-hydroxy-1-phenyl-1,8-naphthyridin-2(1H)-one (89109-17-1) → 1-phenyl-4-(4,4,4-trifluorobutyryloxy)-1,8-naphthyridin-2(1H)-one (929612-39-5)

Guidance literature:

4-hydroxy-1-phenyl-1,8-naphthyridin-2(1H)-one; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.666667h;

4,4,4-trifluorobutanoyl chloride; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

oxalyl dichloride

4,4,4-trifluorobutyric acid

ethyl 4,4,4-trifluorobutanoate

Downstream raw materials:

3,3,3-trifluoropropylamine

(4R,5S)-3-(1-oxo-4,4,4-trifluorobutyl)-4-methyl-5-phenyl-2-oxazolidinone

4,4,4-trifluorobutyroamide

5,5,5-trifluoro-1-[3-(methyloxy)phenyl]-2-pentanone

Refernces

• 1、 -. "1,5-dideoxy-1,5-imino-D-glucitol derivatives". . . Retrieved 2008/06/13.