123040-79-9

Basic information

• Product Name: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid
• Synonyms: 6-chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxanine-8-carboxylic acid;6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-2H-1,4-BENZOXAZINE-8-CARBOXYLIC ACID;2H-1,4-BENZOXANINE-8-CARBOXYLICACID-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-;6-Chloro-3,4-dihydro-4-methyl-;6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-aarboxylicacid;6-Chloro-3,4-dihydro-4-methyl-3-oxo-(9Cl). 2H-1,4-benzoxazine-8-carboxylic acid;2H-1,4-BENZOXANINE-8-CARBOXYLICACID-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-,=99%;6-Chloro-3,4-dihydro-4-methyl-3-oxy-2H-1,4-benzoxazine-8-carboxylic acid
• CAS NO: 123040-79-9
• Molecular Formula: C₁₀H₈ClNO₄
• Molecular Weight: 241.62782
• EINECS: 1533716-785-6
• Product Categories: Intermediate of azasetron hcl
• Mol File: 123040-79-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 241-243°C
• Boiling Point: 556 °C at 760 mmHg
• Flash Point: 290 °C
• Appearance: /
• Density: 1.516
• Vapor Pressure: 3.39E-13mmHg at 25°C
• Refractive Index: 1.615
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.70±0.20(Predicted)
• CAS DataBase Reference: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid(123040-79-9)
• EPA Substance Registry System: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid(123040-79-9)

Safety Data

• Hazardous Substances Data: 123040-79-9(Hazardous Substances Data)

Usage

General Description

The chemical compound "6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid" is a derivative of the 1,4-benzoxazine class of compounds, containing a chloro group at the 6 position, a methyl group at the 4 position, and a carboxylic acid group at the 8 position. It has a bicyclic structure with a ketone functional group and is a member of the oxo compounds. 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid is likely to have pharmaceutical applications due to the presence of the benzoxazine moiety and the carboxylic acid group, which can potentially be involved in the formation of chemical interactions with biological targets, particularly in the development of anti-microbial or anti-inflammatory drugs. Its specific properties and potential applications would need to be further studied and characterized.

InChI:InChI=1/C10H8ClNO4/c1-12-7-3-5(11)2-6(10(14)15)9(7)16-4-8(12)13/h2-3H,4H2,1H3,(H,14,15)

Upstream product

• 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 
• 5043-81-2 3-amino-5-chloro-2-hydroxybenzoic acid methyl ester 
• 4068-78-4 methyl 5-chloro-2-hydroxybenzoate 
• 141761-83-3 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid methyl ester 

Downstream Products

• 141762-06-3 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-benzyl-piperidin-4-yl)-amide 
• 123040-50-6 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid chloride 
• 123040-69-7 azasetron 
• 141762-05-2 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-benzyl-piperidin-3-yl)-amide 

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.

A method for synthesizing arab League grips Si Qiong hydrochloric acid

The invention relates to new path azasetron hydrochloride, and belongs to the technical field of medicine. The method comprises the steps of taking 6-chlorine-4-methyl-3-keto-3,4-dihydro-2H-1,4-benzoxazine-8-methyl formate as a raw starting material, hydrolyzing into 6-chlorine-4-methyl-3-keto-3,4-dihydro-2H-1,4-benzoxazine-8-formic acid in an alcohol-alkali aqueous solution, activating carboxylic acid with TBTU (O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate), condensing with 3-aminoquinuclidine dihydrochloride directly, and finally salifying with concentrated hydrochloric acid to prepare azasetron hydrochloride. According to the method, TBTU serves as a condensing reagent, so that the reaction steps are simplified, pollution to an environment and equipment is reduced, aftertreatment is more convenient, later purification is easier, and industrial production of a product is facilitated further.