59189-98-9

Basic information

• Product Name: Benzoyl chloride, 2-fluoro-4-methyl- (9CI)
• Synonyms: Benzoyl chloride, 2-fluoro-4-methyl- (9CI);2-Fluoro-4-methylbenzoyl chlor
• CAS NO: 59189-98-9
• Molecular Formula: C₈H₆ClFO
• Molecular Weight: 172.5840432
• Product Categories: ACIDHALIDE
• Mol File: 59189-98-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 43-47℃
• Appearance: /
• Water Solubility: Reacts with water.
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: Benzoyl chloride, 2-fluoro-4-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoyl chloride, 2-fluoro-4-methyl- (9CI)(59189-98-9)
• EPA Substance Registry System: Benzoyl chloride, 2-fluoro-4-methyl- (9CI)(59189-98-9)

Safety Data

• HazardClass: 8
• Hazardous Substances Data: 59189-98-9(Hazardous Substances Data)

Upstream product

• 7697-23-6 2-fluoro-4-methylbenzoic Acid 
• 452-79-9 2‐fluoro‐1‐iodo‐4‐methylbenzene 
• 141-75-3 butyryl chloride 
• 452-74-4 4-bromo-3-fluorotoluene 

Downstream Products

• 960292-34-6 (3-{[(RS)-1-(6-benzyl-3-chloro-2-methyl-7-oxo-6,7-dihydro-pyrazolo[1,5-c]pyrimidin-5-yl)-2-methyl-propyl]-[(2-fluoro-4-methyl-phenyl)-carbonyl]-amino}-propyl)-carbamic acid tert-butyl ester 
• 74733-29-2 2-methyl-3-hydroxybenzoic acid methyl ester 
• 37135-22-1 2'-hydroxy-2-fluoro-p-toluanilide 
• 1160822-99-0 {3-[[1-(3-benzyl-8-chloro-7-methoxy-4-oxo-3,4-dihydro-pyrazolo[1,5-a][1,3,5]triazin-2-yl)-2-methyl-n-propyl]-(2-fluoro-4-methyl-benzoyl)-amino]-n-propyl}-carbamic acid tert-butyl ester 
• 32701-16-9 3-methylbenzo[4,5]imidazo[2,1-b]quinazolin-12-one 
• 1443144-17-9 2-fluoro-N-(quinolin-8-yl)-4-methylbenzamide 

Relevant articles and documents

Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure

Apoptosis signal-regulating kinase 1 (ASK1/MAP3K) is a mitogen-activated protein kinase family member shown to contribute to acute ischemia/reperfusion injury. Using structure-based drug design, deconstruction, and reoptimization of a known ASK1 inhibitor

Palladium-Catalyzed Chlorocarbonylation of Aryl (Pseudo)Halides Through In Situ Generation of Carbon Monoxide

An efficient palladium-catalyzed chlorocarbonylation of aryl (pseudo)halides that gives access to a wide range of carboxylic acid derivatives has been developed. The use of butyryl chloride as a combined CO and Cl source eludes the need for toxic, gaseous carbon monoxide, thus facilitating the synthesis of high-value products from readily available aryl (pseudo)halides. The combination of palladium(0), Xantphos, and an amine base is essential to promote this broadly applicable catalytic reaction. Overall, this reaction provides access to a great variety of carbonyl-containing products through in situ transformation of the generated aroyl chloride. Combined experimental and computational studies support a reaction mechanism involving in situ generation of CO.

New benzylureas as a novel series of potent, nonpeptidic vasopressin V2 receptor agonists

Vasopressin (AVP) is a hormone that stimulates an increase in water permeability through activation of V2 receptors in the kidney. The analogue of AVP, desmopressin, has proven an effective drug for diseases where a reduction of urine output is desired. However, its peptidic nature limits its bioavailability. We report herein the discovery of potent, nonpeptidic, benzylurea derived agonists of the vasopressin V2 receptor. We describe substitutions on the benzyl group to give improvements in potency and subsequent modifications to the urea end group to provide improvements in solubility and increased oral efficacy in a rat model of diuresis. The lead compound 20e (VA106483) is reported for the first time and has been selected for clinical development.