261763-03-5

Basic information

• Product Name: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
• Synonyms: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE;3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE 97%;3-Chloro-5-(chlorocarbonyl)-4-fluorobenzotrifluoride;3-Chloro-5-(chlorocarbonyl)-4-fluorobenzotrifluoride, 3-Chloro-5-(chloroformyl)-4-fluorobenzotrifluoride
• CAS NO: 261763-03-5
• Molecular Formula: C₈H₂Cl₂F₄O
• Molecular Weight: 261
• EINECS: -0
• Mol File: 261763-03-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 212.3 °C at 760 mmHg
• Flash Point: 82.2 °C
• Appearance: /
• Density: 1.576 g/cm³
• Vapor Pressure: 0.174mmHg at 25°C
• Refractive Index: 1.488
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(261763-03-5)
• EPA Substance Registry System: 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(261763-03-5)

Safety Data

• Hazard Codes: C,Xn
• Statements: 34-36/37/38-22
• Safety Statements: 26-36/37/39
• RIDADR: 3265
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 261763-03-5(Hazardous Substances Data)

Usage

General Description

3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE is a chemical compound with the formula C8H3Cl2F4O. It is a benzoyl chloride derivative that contains chlorine, fluorine, and a trifluoromethyl group. 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE is commonly used in organic synthesis as a reagent for introducing the benzoic acid moiety into other organic molecules. It is also used in the manufacturing of pharmaceuticals, agrochemicals, and other fine chemicals. 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE is a highly reactive compound and should be handled with care in a properly equipped laboratory setting.

InChI:InChI=1/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H

Upstream product

• 129931-45-9 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid 

Downstream Products

• 1140918-06-4 N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-3-chloro-2-fluoro-5-(trifluoromethyl)benzamide 
• 956488-29-2 N-(3-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl)-2-fluoro-5-trifluoromethyl-3-chloro-benzamide 

Relevant articles and documents

Structure-Based Optimization of a Small Molecule Antagonist of the Interaction between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)

WD repeat-containing protein 5 (WDR5) is an important component of the multiprotein complex essential for activating mixed-lineage leukemia 1 (MLL1). Rearrangement of the MLL1 gene is associated with onset and progression of acute myeloid and lymphoblastic leukemias, and targeting the WDR5-MLL1 interaction may result in new cancer therapeutics. Our previous work showed that binding of small molecule ligands to WDR5 can modulate its interaction with MLL1, suppressing MLL1 methyltransferase activity. Initial structure-activity relationship studies identified N-(2-(4-methylpiperazin-1-yl)-5-substituted-phenyl) benzamides as potent and selective antagonists of this protein-protein interaction. Guided by crystal structure data and supported by in silico library design, we optimized the scaffold by varying the C-1 benzamide and C-5 substituents. This allowed us to develop the first highly potent (Kdisp 100 nM) small molecule antagonists of the WDR5-MLL1 interaction and demonstrate that N-(4-(4-methylpiperazin-1-yl)-3′-(morpholinomethyl)-[1,1′-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide 16d (OICR-9429) is a potent and selective chemical probe suitable to help dissect the biological role of WDR5.

NOVEL PROCESS

The present invention relates to a process for the preparation of benzamide derivatives which are useful as intermediates in the preparation of pharmaceutically active compounds.