189807-21-4

Basic information

• Product Name: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
• Synonyms: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE;alpha,alpha,alpha,4-Tetrafluoro-o-toluoyl chloride;à,à,à,4-tetrafluoro-o-toluoyl chloride;4-Fluoro-2-(trifluoromethyl)benzoyl chloride 97%;4-Fluoro-2-(trifluoromethyl)benzoylchloride97%;4-Tetrafluoro-O-Toluoyl Chloride;2-(Chlorocarbonyl)-5-fluorobenzotrifluoride;4-Fluoro-2-(trifluoroMethyl)benzoyl chloride, 97% 1GR
• CAS NO: 189807-21-4
• Molecular Formula: C₈H₃ClF₄O
• Molecular Weight: 226.56
• Product Categories: Aromatic Halides (substituted);Acid Halides;Carbonyl Compounds;Organic Building Blocks;Fluorine series
• Mol File: 189807-21-4.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 157 °C(lit.)
• Flash Point: 185 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.495 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.267mmHg at 25°C
• Refractive Index: n20/D 1.468(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: Not miscible in water.
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(189807-21-4)
• EPA Substance Registry System: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE(189807-21-4)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 189807-21-4(Hazardous Substances Data)

Usage

Description

4-Fluoro-2-(trifluoromethyl)benzoyl Chloride is an organic compound characterized by the presence of a fluorine atom at the 4-position and a trifluoromethyl group at the 2-position on a benzoyl chloride structure. It is a clear colorless to yellow liquid with unique chemical properties that make it suitable for various applications.

Uses

Used in Pharmaceutical Industry:
4-Fluoro-2-(trifluoromethyl)benzoyl Chloride is used as a synthetic intermediate for the development of pharmaceutical compounds. Its unique structure and reactivity allow for the creation of new drugs with potential therapeutic benefits.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 4-Fluoro-2-(trifluoromethyl)benzoyl Chloride serves as a valuable building block for the synthesis of novel compounds with potential applications in treating various diseases and medical conditions. Its versatility in chemical reactions enables the design and synthesis of new drug candidates with improved pharmacological properties.
Used in Chemical Synthesis:
4-Fluoro-2-(trifluoromethyl)benzoyl Chloride is also utilized in various chemical synthesis processes, particularly in the preparation of complex organic molecules and specialty chemicals. Its reactivity and stability contribute to the efficiency and effectiveness of these synthesis processes.

InChI:InChI=1/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H

Upstream product

• 79-37-8 oxalyl dichloride 
• 5129-72-6 N-ethylpropionamide 
• 141179-72-8 4-fluoro-2-trifluoromethylbenzoic acid 
• 199678-06-3 4-(1-methyl-1H-pyrazol-4-yl)benzoic acid 

Downstream Products

• 220603-08-7 (6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-(4-fluoro-2-trifluoromethyl-phenyl)-methanone 
• 252938-49-1 6-{[2-({4-[4-fluoro-2-(trifluoromethyl)phenyl]-5-imidazol-2-ylpyrimidin-2-yl}amino)ethyl]amino }pyridine-3-carbonitrile 
• 1222509-12-7 SCYX-6759 
• 1258861-20-9 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazole-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide 
• 1186376-44-2 1-[4-(4-fluoro-2-trifluoromethyl-benzoyl)-3,4-dihydro-2H-benzo[1,4]oxazin-7-yloxy]-5H-benzo[c][1,8]naphthyridin-6-one 
• 915958-96-2 4-fluoro-N-((S)-1-hydroxymethyl-allyl)-2-trifluoromethyl-benzamide 
• 915959-05-6 (4-fluoro-2-trifluoromethyl-benzoylamino)-acetic acid ethyl ester 
• 880484-68-4 2-(4-fluoro-2-trifluoromethyl-benzoylamino)-malonic acid diethyl ester 
• 252938-50-4 {4-[4-fluoro-2-(trifluoromethyl)phenyl]-5-imidazol-2-ylpyrimidin-2-yl}(2-{[5-(trifluoromethyl)(pyridin-2-yl)]amino}ethyl)amine 
• 220461-29-0 [4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-(5H,11H-pyrrolo[2,1-c][1,4]-benzodiazepin-10-yl)-methanone 
• 685873-04-5 1-tert-butoxycarbonyl-4-[4-fluoro-2-trifluoromethyl-benzoyl]piperazine 
• 220461-64-3 (4-fluoro-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone 
• 220602-69-7 [2-(Trifluoromethyl)-4-(3-trifluoromethyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 

Relevant articles and documents

Design, synthesis and biological evaluation of anthranilamide derivatives as potent SMO inhibitors

A series of anthranilamide derivatives were designed and synthesized as novel smoothened (SMO) inhibitors based on the SMO inhibitor taladegib (LY2940680), which can also inhibit the SMO-D473H mutant, via a ring-opening strategy. The phthalazine core in LY2940680 was replaced with anthranilamide, which retained the inhibitory activity towards the hedgehog (Hh) signaling pathway as evidenced by a dual luciferase reporter gene assay. Compound 12a displayed the best inhibitory activity against the Hh signaling pathway with IC50 value of 34.09 nM, and exhibited better proliferation inhibitory activity towards the Daoy cell line (IC50 = 0.48 μM) than LY2940680 (IC50 = 0.79 μM).

METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF

The present invention provides a method for producing a 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound which has an superior agonistic activity to an arginine vasopressin V2 receptor and is useful as an active ingredient for a pharmaceutical

Pyridobenzodiazepines: A novel class of orally active, vasopressin V 2 receptor selective agonists

Our efforts in seeking low molecular weight agonists of the antidiuretic peptide hormone arginine vasopressin (AVP) have led to the identification of the clinical candidate WAY-151932 (VNA-932). Further exploration of the structural requirements for agonist activity has provided another class of potent, orally active, non-peptidic vasopressin V2 receptor selective agonists exemplified by the 5,11-dihydro-pyrido[2,3-b][1,5]benzodiazepine as a candidate for further development.