123040-79-9

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• Basic information

  1. Product Name: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid
  2. 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
  3. CAS NO:123040-79-9
  4. Molecular Formula: C₁₀H₈ClNO₄
  5. Molecular Weight: 241.62782
  6. EINECS: 1533716-785-6
  7. Product Categories: Intermediate of azasetron hcl
  8. Mol File: 123040-79-9.mol
  9. Article Data: 4

• Chemical Properties

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

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 123040-79-9(Hazardous Substances Data)

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• 6-CHLORO-4-METHYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-8-CARBOXYLIC ACID

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• 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid,CAS NO.:123040-79-9, Manufacturer

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• 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid

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123040-79-9 Usage

Description

6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid is a chemical compound belonging to the 1,4-benzoxazine class, characterized by a chloro group at the 6 position, a methyl group at the 4 position, and a carboxylic acid group at the 8 position. It features a bicyclic structure with a ketone functional group, making it a member of the oxo compounds. The presence of the benzoxazine moiety and the carboxylic acid group suggests potential pharmaceutical applications, particularly in the development of anti-microbial or anti-inflammatory drugs, due to their ability to form chemical interactions with biological targets.

Uses

Used in Pharmaceutical Industry:
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid is used as a potential pharmaceutical compound for its possible involvement in the development of anti-microbial or anti-inflammatory drugs. The benzoxazine moiety and the carboxylic acid group present in the compound may enable it to form chemical interactions with biological targets, contributing to its therapeutic effects.
Further studies and characterization are required to explore the specific properties and potential applications of 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid in the pharmaceutical field, as well as to determine its safety and efficacy.

Check Digit Verification of cas no

The CAS Registry Mumber 123040-79-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,0,4 and 0 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 123040-79:
(8*1)+(7*2)+(6*3)+(5*0)+(4*4)+(3*0)+(2*7)+(1*9)=79
79 % 10 = 9
So 123040-79-9 is a valid CAS Registry Number.

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)

123040-79-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name	6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid

1.2 Other means of identification

Product number	-
Other names	2H-1,4-Benzoxazine-8-carboxylicacid,6-chloro-3,4-dihydro-4-methyl-3-oxo

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:123040-79-9 SDS

123040-79-9Upstream product

• 141761-83-3 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid methyl ester 
• 4068-78-4 methyl 5-chloro-2-hydroxybenzoate 
• 5043-81-2 3-amino-5-chloro-2-hydroxybenzoic acid methyl ester 
• 123040-75-5 methyl 6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylate 
• 5043-79-8 5-chloro-2-hydroxy-3-nitrobenzoic acid methyl ester 

123040-79-9Downstream Products

• 123040-69-7 azasetron 
• 123040-50-6 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid chloride 
• 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 
• 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 

123040-79-9Relevant articles and documents

Novel preparation method of azasetron hydrochloride

-

, (2019/12/25)

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

-

Paragraph 0015; 0028; 0029, (2017/02/09)

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.

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