trans-1-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl)-4-Hydroxy-L-Proline
[CAS# 64398-32-9]

Identification

• Name: trans-1-((5-Chloro-3,4-Dihydro-3-Methyl-1-Oxo-1H-2-Benzopyran-7-Yl)Carbonyl)-4-Hydroxy-L-Proline
• Synonyms: (2S,4R)-1-(5-Chloro-3-Methyl-1-Oxo-Isochroman-7-Carbonyl)-4-Hydroxy-Pyrrolidine-2-Carboxylic Acid; (2S,4R)-1-[(5-Chloro-3-Methyl-1-Oxo-7-Isochromanyl)-Oxomethyl]-4-Hydroxy-2-Pyrrolidinecarboxylic Acid; (2S,4R)-1-(5-Chloro-1-Keto-3-Methyl-Isochroman-7-Carbonyl)-4-Hydroxy-Proline
• Molecular Formula: C₁₆H₁₆ClNO₆
• Molecular Weight: 353.76
• CAS Registry Number: 64398-32-9
• SMILES: [C@@H]3(N(C(=O)C1=CC(=C2C(=C1)C(OC(C2)C)=O)Cl)C[C@H](O)C3)C(=O)O
• InChI: 1S/C16H16ClNO6/c1-7-2-10-11(16(23)24-7)3-8(4-12(10)17)14(20)18-6-9(19)5-13(18)15(21)22/h3-4,7,9,13,19H,2,5-6H2,1H3,(H,21,22)/t7?,9-,13+/m1/s1
• InChIKey: VWSLBFYFOBVNIF-DDNMHGMLSA-N

Properties

• Density: 1.523g/cm³ (Cal.)
• Boiling point: 687.656°C at 760 mmHg (Cal.)
• Flash point: 369.681°C (Cal.)