(1S,4R,5S,6R)-6-(Phenylmethoxycarbonylamino)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylate
[CAS# 109853-34-1]

Identification

• Name: (1S,4R,5S,6R)-6-(Phenylmethoxycarbonylamino)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylate
• Synonyms: (1S,4R,5S,6R)-6-[[Oxo-(Phenylmethoxy)Methyl]Amino]-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; (1S,4R,5S,6R)-6-(Benzyloxycarbonylamino)Bicyclo[2.2.1]Hept-2-Ene-5-Carboxylate; Zinc04262530
• Molecular Formula: C₁₆H₁₆NO₄
• Molecular Weight: 286.31
• CAS Registry Number: 109853-34-1
• SMILES: [C@H]2([C@H](NC(OCC1=CC=CC=C1)=O)[C@H]3C[C@@H]2C=C3)C([O-])=O
• InChI: 1S/C16H17NO4/c18-15(19)13-11-6-7-12(8-11)14(13)17-16(20)21-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2,(H,17,20)(H,18,19)/p-1/t11-,12+,13-,14+/m0/s1
• InChIKey: DGRPAZJZBQTEPY-RFQIPJPRSA-M

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 506.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 260.0±30.1°C (Cal.)