2,4-Difluorobenzoyl chloride

Base Information

• Chemical Name: 2,4-Difluorobenzoyl chloride
• CAS No.: 72482-64-5
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• Hs Code.: 29163990
• European Community (EC) Number: 276-690-4
• UNII: 77DL5FRC0Z
• DSSTox Substance ID: DTXSID30222778
• Nikkaji Number: J208.432E
• Wikidata: Q72462593
• Mol file: 72482-64-5.mol

Synonyms:2,4-Difluorobenzoyl chloride;72482-64-5;2,4-difluorobenzoylchloride;Benzoyl chloride, 2,4-difluoro-;77DL5FRC0Z;2,4-difluorobenzoic acid chloride;EINECS 276-690-4;2,4difluorobenzoylchloride;UNII-77DL5FRC0Z;2,4-difluorobezoyl chloride;2,4 difluorobenzoyl chloride;2,4-difluoro benzoylchloride;2,4-difluoro-benzoylchloride;SCHEMBL165619;2,4-Difluoro-benzoyl chloride;JSWRVDNTKPAJLB-UHFFFAOYSA-;DTXSID30222778;AMY38537;2,4-Difluorobenzoyl chloride, 98%;MFCD00000658;alpha-chloro-2,4-difluorobenzaldehyde;AKOS007930879;2,4-difluoro-1-benzenecarbonyl chloride;PS-10781;D1882;FT-0610092;EN300-156036;2,4-DIFLUOROBENZOYL CHLORIDE ACID CHLORIDE;A837541;W-104488;F2190-0142

Chemical Property of 2,4-Difluorobenzoyl chloride

Chemical Property:

• Appearance/Colour: clear light yellow to yellow liquid
• Vapor Pressure: 0.0278mmHg at 25°C
• Melting Point: 70-71 °C
• Refractive Index: n20/D 1.5157(lit.)
• Boiling Point: 169 °C at 760 mmHg
• Flash Point: 56 °C
• PSA: 17.07000
• Density: 1.42 g/cm³
• LogP: 2.34380
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: REACTS
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9840487
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Difluorobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37-29
• Safety Statements: 23-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)C(=O)Cl
• Uses: 2,4-Difluorobenzoyl chloride is used as a pharmaceutical intermediate. 2,4-Difluorobenzoyl chloride was used in the synthesis of 3-oxocyclohex-1-enyl 2,4-difluorobenzoate.

Technology Process of 2,4-Difluorobenzoyl chloride

There total 9 articles about 2,4-Difluorobenzoyl 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: 100.0%

2,4-difluoro-benzoic acid (1583-58-0) → 2,4-difluorobenzoyl chloride (72482-64-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere; Cooling with ice;

DOI:10.1021/jm2015809

Reference yield:

oxalyl dichloride (79-37-8) + 2,4-difluoro-benzoic acid (1583-58-0) → 2,4-difluorobenzoyl chloride (72482-64-5)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

Reference yield:

2,4-difluorobenzoyl fluoride (67640-39-5) → 2,4-difluorobenzoyl chloride (72482-64-5)

Guidance literature:

aluminium trichloride;

upstream raw materials:

2,4-difluoro-benzoic acid

oxalyl dichloride

2,4-difluorobenzoyl fluoride

N-(4-cyanophenyl)-2,4-difluorobenzamide

Downstream raw materials:

2,4-Difluoro-N-(2-hydroxy-phenyl)-benzamide

(S)-1-(2,4-Difluoro-benzoyl)-pyrrolidine-2-carboxylic acid

1-(2,4-difluorobenzoyl)-4-(3-hydroxyphenyl)piperidine

N-[2-[(3-(allyloxycarbonyl)phenyl)methoxy]-1(S)-cyanoethyl]-Nα-(2,4-difluorobenzoyl)-3-methyl-L-phenylalaninamide

Refernces

• 1、 Chattopadhyay, Buddhadeb,Hassan, Mirja Md Mahamudul,Hoque, Md Emdadul. "Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates". supporting information. p. 5022 - 5037. Retrieved 2021/05/04.
• 2、 Calamante, Massimo,Dei, Filippo,Maramai, Samuele,Migliorini, Francesca,Petricci, Elena. "Micellar Catalysis for Sustainable Hydroformylation". . p. 2794 - 2806. Retrieved 2021/05/03.