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

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

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 
• 141179-72-8 4-fluoro-2-trifluoromethylbenzoic acid 
• 5129-72-6 N-ethylpropionamide 
• 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 
• 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 
• 220602-80-2 [4-(3-tert-butyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 
• 220602-65-3 [4-(3-methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 
• 220602-67-5 [4-(5-methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone 
• 497854-77-0 4-fluoro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide 

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).

SMO (smoothened) inhibitor containing benzoylpiperidine structure and preparation and application methods thereof

The invention discloses a benzoylpiperidine derivative and preparation and application methods thereof. The benzoylpiperidine derivative is a compound containing N-methyl-N-(1-(2-aminobenzoyl)piperidine-4-yl)amide structure shown as the formula I. The invention also discloses a preparation method of the benzoylpiperidine derivative. The invention also discloses application of the benzoylpiperidinederivative to preparing SMO protein inhibitors as well as application of drug combinations containing the benzoylpiperidine derivative to preparing anti-tumor drugs.

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

TRIAZOLE DERIVATIVE OR SALT THEREOF

[Problem] A compound, which can be used for preventing or treating diseases, in which 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) is concerned, in particular, diabetes, insulin resistance, dementia, schizophrenia and depression, is provided. [Means

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.

Orally active CCR5 antagonists as anti-HIV-1 agents 2: Synthesis and biological activities of anilide derivatives containing a pyridine N-oxide moiety

In order to develop orally active CCR5 antagonists, we investigated 1-benzoxepine derivatives containing new polar substituents, such as phosphonate, phosphine oxide or pyridine N-oxide moieties, as replacements for the previoiusly reported quaternary ammonium moiety. Among these compounds, the 2-(α-hydroxybenzyl)pyridine N-oxide 5e exhibited moderate CCR5 antagonistic activity and had an acceptable pharmacokinetic profile in rats. Subsequent chemical modification was performed and compound (S)-5f possessing the (S)-configuration hydroxy group was found to be more active than the (R)-isomer. Replacement of the 1-benzoxepine ring with a 4-methylphenyl group by a 1-benzazepine ring with a 4-[2-(butoxy)ethoxy]phenyl group enhanced the activity in the binding assay. In addition, introduction of a 3-trifluoromethyl group on the phenyl group of the anilide moiety led to greatly increased activity in the HIV-1 envelope-mediated membrane fusion assay. In particular, compound (S)-5s showed the most potent CCR5 antagonistic activity (IC 50=7.2 nM) and inhibitory effect (IC50=5.4 nM) in the fusion assay, together with good pharmacokinetic properties in rats.

ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS

The present invention relates to novel benzyloxy derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders.

TRICYCLIC VASOPRESSIN AGONISTS

The present invention provides compounds of general formula (I): wherein W is O or NH, optionally substituted, as well as methods and pharmaceutical compositions utilising these compounds for the treatment of disorder which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, or temporary delay of urination.

Vasopressin agonist formulation and process

This invention provides novel formulations for vasopressin agonist compounds, or a pharmaceutically acceptable salt thereof, having the general structure: and processes for making them, the formulations comprising from about 1% to about 20% of active ingredient, from about 1% to about 18% of a surfactant component, from about 50% to about 80% of a component of one or more polyethylene glycols, from about 1% to about 20% of a component of one or more sucrose fatty acid esters and/or polyvinylpyrrolidone and, optionally, one or more preservatives or antioxidants.