4-Chloro-2,5-difluorobenzoyl chloride

Base Information

• Chemical Name: 4-Chloro-2,5-difluorobenzoyl chloride
• CAS No.: 132794-08-2
• Molecular Formula: C7H2Cl2F2O
• Molecular Weight: 210.995
• Hs Code.: 2916399090
• European Community (EC) Number: 670-555-7
• DSSTox Substance ID: DTXSID00371404
• Wikidata: Q72518349
• Mol file: 132794-08-2.mol

Synonyms:4-chloro-2,5-difluorobenzoyl chloride;132794-08-2;4-chloro-2,5-difluoro-benzoyl chloride;SCHEMBL9793665;DTXSID00371404;DFLRZGOHFNFBQS-UHFFFAOYSA-N;MFCD00236600;AKOS015850078;PS-10691;FT-0618000;EN300-3266618;A806499

Chemical Property of 4-Chloro-2,5-difluorobenzoyl chloride

Chemical Property:

• Melting Point: 39-41°C
• Boiling Point: 210.5 °C at 760 mmHg
• Flash Point: 81.1 °C
• PSA: 17.07000
• Density: 1.548 g/cm³
• LogP: 2.99720
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.9450764
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

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

4-Chloro-2,5-difluorobenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl

Technology Process of 4-Chloro-2,5-difluorobenzoyl chloride

There total 1 articles about 4-Chloro-2,5-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:

4-chloro-2,5-difluoro-benzoic acid (132794-07-1) → 2,5-difluoro-4-chlorobenzoyl chloride (132794-08-2)

Guidance literature:

With thionyl chloride;

Reference yield: 88.0%

2,5-difluoro-4-chlorobenzoyl chloride (132794-08-2) + 4-amino-2-methoxypyridine (20265-39-8) → 4-chloro-2,5-difluoro-N-(2-methoxy-4-pyridyl)benzamide (1620847-92-8)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 43h;

Reference yield: 87.0%

(S)-2,2,2-trifluoro-1-(methyl)ethylamine hydrochloride (125353-44-8,2968-32-3) + 2,5-difluoro-4-chlorobenzoyl chloride (132794-08-2) → 4-chloro-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]benzamide (1416785-13-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

upstream raw materials:

4-chloro-2,5-difluoro-benzoic acid

Downstream raw materials:

methyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]thiophene-2-carboxylate

4-chloro-2-(4-chloro-2,5-difluorophenyl)-6-methylpyrimidine

4-chloro-2-(4-chloro-2,5-difluorophenyl)-6-ethylpyrimidine

C₂H₂O₄*C₁₈H₁₅ClF₂N₄O

Refernces

• 1、 Negoro, Kenji,Yonetoku, Yasuhiro,Misawa-Mukai, Hana,Hamaguchi, Wataru,Maruyama, Tatsuya,Yoshida, Shigeru,Takeuchi, Makoto,Ohta, Mitsuaki. "Discovery and biological evaluation of novel 4-amino-2-phenylpyrimidine derivatives as potent and orally active GPR119 agonists". . p. 5235 - 5246. Retrieved 2012/11/07.
• 2、 -. "Novel intermediates for the production of 2,4,5-trifluorobenzoyl fluoride". . . Retrieved 2008/06/13.