CAS 123040-75-5

6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester

Description:

6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid methyl ester, with the CAS number 123040-75-5, is a chemical compound characterized by its benzoxazine structure, which features a fused benzene and oxazine ring. This compound typically exhibits a range of functional groups, including a carboxylic acid ester and a chloro substituent, which can influence its reactivity and solubility. The presence of the methyl ester group suggests that it may have moderate polarity, making it soluble in organic solvents while potentially less soluble in water. The chloro group can impart unique electronic properties, potentially enhancing its reactivity in nucleophilic substitution reactions. Additionally, the diketone functionality may allow for various chemical transformations, including condensation and cyclization reactions. Overall, this compound may be of interest in medicinal chemistry and materials science due to its structural features and potential biological activities. However, specific applications and biological effects would require further investigation and research.

Formula: C₁₀H₈ClNO₄

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

InChI key: InChIKey=GDSWKMQEDQRHLC-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C2C(NC(=O)CO2)=CC(Cl)=C1

Synonyms:

• 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester
• 2H-1,4-Benzoxazine-8-carboxylicacid, 6-chloro-3,4-dihydro-3-oxo-, methyl ester
• Methyl 6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylate
• methyl 6-chloro-3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylate
• methyl 6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate
• JR-14071, Methyl 6-chloro-3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylate, 97%
• 6-Chloro-3,4-Dihydro-3-Oxo-2H-1,4-Benzoxazine-8-CarboxylicAcidMethylEster
• Methyl 6-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylate
• 6-Chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid methyl ester

Methyl 6-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylate

CAS: 123040-75-5

Formula: C₁₀H₈ClNO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 241.6278

Ref: IN-DA000JZM

6-Chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxylic Acid Methyl Ester

Controlled Product

CAS: 123040-75-5

Applications Intermediate in the preparation of Azasetron.
References Kawakita, T., et al.: Chem. Pharm. Bull., 40, 624 (1992),

Formula: C₁₀H₈ClNO₄

Color and Shape: Neat

Molecular weight: 241.63

Ref: TR-C365275