- Azasetron Impurity
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2025-12-16
- CAS:123040-79-9
- Min. Order: 10mg
- Purity: 98
- Supply Ability: 10000000
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| | 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid 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: | 123040-79-9 | | MF: | C10H8ClNO4 | | MW: | 241.63 | | EINECS: | 1533716-785-6 | | Product Categories: | Intermediate of azasetron hcl | | Mol File: | 123040-79-9.mol |  |
| | 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid Chemical Properties |
| Melting point | 241-243°C | | Boiling point | 556.0±50.0 °C(Predicted) | | density | 1.516 | | storage temp. | Sealed in dry,Room Temperature | | pka | 2.70±0.20(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/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) | | InChIKey | ZTIKBJABRWRXFK-UHFFFAOYSA-N | | SMILES | O1C2=C(C(O)=O)C=C(Cl)C=C2N(C)C(=O)C1 |
| | 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid Usage And Synthesis |
| Synthesis | In a 500 mL three-necked flask, 150 mL of deionized water and 12 g (0.3 mol) of sodium hydroxide were added sequentially and stirred until the solid was completely dissolved. Subsequently, 100 mL of ethanol was added and the reaction system was cooled down to 20 °C. Under stirring, methyl 6-chloro-4-methyl-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylate (0.1 mol) was slowly added and the reaction was continued with stirring for 3 hours. After completion of the reaction, the reaction mixture was cooled to below 10 °C and the pH was adjusted with dilute hydrochloric acid to 2. The precipitated solid was collected by filtration and dried to afford 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid as an off-white solid with a yield of 21.9 g and 91% yield. | | References | [1] Patent: CN104557907, 2016, B. Location in patent: Paragraph 0015; 0079; 0080
[2] Patent: CN103351386, 2016, B. Location in patent: Paragraph 0015; 0028; 0029
[3] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 3, p. 624 - 630 |
| | 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid Preparation Products And Raw materials |
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