(1R,2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-cyclohexene-1-carboxylic acid
[CAS# 870288-16-7]

Identification

• Name: (1R,2S)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-cyclohexene-1-carboxylic acid
• Synonyms: (1R,2S)-2-(tert-Butoxycarbonylamino)cyclohex-3-enecarboxylic acid; (1R,2S)-Boc-2-aminocyclohex-3-ene-carboxylic acid; (1R,2S)-Boc-2-aminocyclohex-3-ene-carboxylicacid
• Molecular Formula: C₁₂H₁₉NO₄
• Molecular Weight: 241.28
• CAS Registry Number: 870288-16-7
• SMILES: O=C(O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)\C=C/CC1
• InChI: 1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h5,7-9H,4,6H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
• InChIKey: QWRRLPZJKAWOFL-BDAKNGLRSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 399.2°C at 760 mmHg (Cal.)
• Flash point: 195.229°C (Cal.)
• Refractive index: 1.511 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Loránd Kiss, Enikő Forró, Santos Fustero and Ferenc Fülöp. Regio- and diastereoselective fluorination of alicyclic β-amino acids, Org. Biomol. Chem., 2011, 9, 6528.