(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid , 97% , 291775-59-2

CAS NO.：291775-59-2

Empirical Formula: C12H19NO4

Molecular Weight: 241.28

MDL number: MFCD11099876

PRODUCT Properties

• Melting point: 147-152 °C
• Boiling point: 371.0±25.0 °C(Predicted)
• Density: 1.232±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• form: powder
• pka: 4.05±0.20(Predicted)
• Appearance: White to off-white Solid
• optical activity: [α]22/D -170±10°, c = 1 in chloroform
• InChI: InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-8-5-4-7(6-8)9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+,9-/m0/s1
• InChIKey: IFAMSTPTNRJBRG-YIZRAAEISA-N
• SMILES: [C@]12([H])C[C@]([H])(CC1)[C@@H](C(O)=O)N2C(OC(C)(C)C)=O

Description and Uses

(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic Acid is a building block in the synthesis of Ledipasvir, a potent, once-??daily oral NS5A inhibitor for the treatment of Hepatitis C Virus infection. It is also used to prepare potent direct inhibitors of factor Xa which carries significant promise for developing effective and safe anticoagulants.

Safety

• Symbol(GHS): GHS07,GHS08,GHS09
• Signal word: Danger
• Hazard statements: H315-H319-H335-H360-H400
• Precautionary statements: P201-P273-P302+P352-P305+P351+P338-P308+P313
• Hazard Codes: Xi,N
• Risk Statements: 61-36/37/38
• Safety Statements: 53-26-61
• RIDADR: UN 3077 9/PG 3
• WGK Germany: 3