123040-95-9

Basic information

• Product Name: azasetron
• Synonyms: 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, (-)-;CL102
• CAS NO: 123040-95-9
• Molecular Formula: C₁₇H₂₀ClN₃O₃
• Molecular Weight: 0
• Mol File: 123040-95-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 550.4°C at 760 mmHg
• Flash Point: 286.6°C
• Appearance: /
• Density: 1.42g/cm³
• Vapor Pressure: 3.68E-12mmHg at 25°C
• Refractive Index: 1.653
• CAS DataBase Reference: azasetron(CAS DataBase Reference)
• NIST Chemistry Reference: azasetron(123040-95-9)
• EPA Substance Registry System: azasetron(123040-95-9)

Safety Data

• Hazardous Substances Data: 123040-95-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H20ClN3O3/c1-20-13-9-11(18)8-12(15(13)24-10-14(20)22)16(23)19-17-2-5-21(6-3-17)7-4-17/h8-9H,2-7,10H2,1H3,(H,19,23)

Upstream product

• 6530-09-2 3-aminoquinuclidine dihydrochloride 
• 123040-79-9 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid 
• 141761-83-3 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid methyl ester 
• 5043-81-2 3-amino-5-chloro-2-hydroxybenzoic acid methyl ester 
• 4068-78-4 methyl 5-chloro-2-hydroxybenzoate 
• 76883-48-2 quinuclidin-3-amine 
• 123040-50-6 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid chloride 
• 5043-79-8 5-chloro-2-hydroxy-3-nitrobenzoic acid methyl ester 
• 123040-75-5 methyl 6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylate 

Downstream Products

• 123040-16-4 Azasetron hydrochloride 

Relevant articles and documents

Novel preparation method of azasetron hydrochloride

The invention provides a novel preparation method of azasetron hydrochloride, belonging to the technical field of medicine synthesis. According to the method, methyl 5-chlorosalicylate is used as a raw material; after acetic anhydride nitrification and stannous chloride reduction at room temperature, dimethyl carbonate is used as a methylation reagent, and an intermediate V (6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid methyl ester) is synthesized by adopting a one-pot method; the intermediate V is hydrolyzed to obtain 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-formic acid (VI); and the compound reacts with free 3-aminoquinuclidine dihydrochloride for 1 h under the catalysis of TBTU to form a salt so as to obtain I (azasetron hydrochloride). According to the method, the yield of each step is high; aftertreatment is simple; the reaction time of each step is short; conditions are mild; low-toxicity environment-friendly reagents are adopted; energy consumption is reduced; cost is saved; and industrial production is better facilitated.

Use of serotonin antagonists for treating fibromyalgia

The invention is directed to the use of 5HT3 antagonists of formula I STR1 wherein the substituents are as defined herein.