| Identification | Back Directory | [Name]
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylic acid | [CAS]
123040-79-9 | [Synonyms]
Azasetron Impurity
Azasetron Impurity 1
Azasetron InterMediate
6-Chloro-3,4-dihydro-4-methyl-
2H-1,4-BENZOXANINE-8-CARBOXYLICACID-6-CHLORO-3,4-DIHYD
6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid
6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-aarboxylicacid
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-3-oxy-2H-1,4-benzoxazine-8-carboxylic acid
6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-
2H-1,4-BENZOXANINE-8-CARBOXYLICACID-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-,=99%
6-Chloro-4-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
6-Chloro-3,4-dihydro-4-methyl-3-oxo-(9Cl). 2H-1,4-benzoxazine-8-carboxylic acid | [EINECS(EC#)]
1533716-785-6 | [Molecular Formula]
C10H8ClNO4 | [MDL Number]
MFCD09031399 | [MOL File]
123040-79-9.mol | [Molecular Weight]
241.63 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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