Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

CAS: 22244-22-0

Ref. 3D-FE56861

Product Information

• Name: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
• Synonyms: 3,4-Dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester, 2H-1,4-benzoxazine-2-carboxylic acid, 3,4-dihydro-, ethyl ester, 3,4-Dihydro-2H-1,4-benzoxazine-2-carboxylic acid ethyl ester, Ethyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
• CAS: 22244-22-0

Description

Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate is a chiral compound. It is an optical and racemic mixture. The refluxed product has a melting point of 15°C. This compound can be prepared by formylation of the corresponding nitrosobenzene with acetone in the presence of sodium methoxide followed by hydrolysis. It can be separated using preparative high performance liquid chromatography (HPLC) on silica gel and eluted with acetonitrile/water (85:15). The enantiomers can be separated using analytical HPLC on silica gel eluted with methanol/water (95:5).
The optical purity was determined to be 95%.

• Brand: Biosynth

Chemical properties

• Molecular weight: 207.23 g/mol
• Formula: C₁₁H₁₃NO₃
• Purity: Min. 95%
• InChI: InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3
• InChI key: InChIKey=FGYXHLIMQKWPIL-UHFFFAOYSA-N
• SMILES: CCOC(=O)C1CNc2ccccc2O1