(S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate , 97% , 109010-60-8

CAS NO.：109010-60-8

Empirical Formula: C16H22N2O3

Molecular Weight: 290.36

MDL number: MFCD00895734

EINECS: 1806241-263-5

PRODUCT Properties

• Melting point: 115-116°C
• alpha: -270 º (c=0.5, EtOH)
• Boiling point: 483.2±45.0 °C(Predicted)
• Density: 1.133±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• solubility: DMSO: ~34 mg/mL, soluble
• form: solid
• pka: 7.37±0.20(Predicted)
• color: white
• optical activity: Consistent with structure
• InChI: InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
• InChIKey: QTEDVVHLTMELTB-LBPRGKRZSA-N
• SMILES: N1(CC(OC(C)(C)C)=O)C2=CC=CC=C2CC[C@H](N)C1=O
• CAS DataBase Reference: 109010-60-8(CAS DataBase Reference)

Description and Uses

S-ATBA is an intermediate in the synthesis of benazepril.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H317-H335
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
• Safety Statements: 22-24/25
• WGK Germany: 2
• RTECS: CX7065000
• HS Code: 2933790002