(1R,3R)-Methyl1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate , 95% , 171489-59-1

CAS NO.：171489-59-1

Empirical Formula: C22H19ClN2O5

Molecular Weight: 426.85

MDL number: MFCD04973633

PRODUCT Properties

• Melting point: 230-232℃
• Boiling point: 627.5±55.0 °C(Predicted)
• Density: 1.445
• storage temp.: Inert atmosphere,2-8°C
• solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• pka: 16.25±0.60(Predicted)
• form: Solid
• color: White to Pale Orange
• InChI: InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1
• InChIKey: JUKHNCNDFOAFLT-IIBYNOLFSA-N
• SMILES: N1C2=C(C=CC=C2)C2C[C@H](C(OC)=O)N(C(CCl)=O)[C@H](C3=CC=C4OCOC4=C3)C1=2

Description and Uses

Chloropretadalafil is a key synthetic intermediate of tadalafil which is a selective inhibitor of cyclic guanosine monophosphate (cGMP)-specific phosphodiesterase type 5 (PDE5).

(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9- tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic is used as an intermediate in the synthesis of Tadafil, which is used for the treatment of erectile dysfunction.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H335-H315-H319
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P