Benzyl ((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate , 97% , 274693-53-7

CAS NO.：274693-53-7

Empirical Formula: C16H21NO5

Molecular Weight: 307.34

MDL number: MFCD21362984

EINECS: 700-846-7

PRODUCT Properties

• Melting point: 117 - 119°C
• Boiling point: 489.1±45.0 °C(Predicted)
• Density: 1.28
• storage temp.: Inert atmosphere,Store in freezer, under -20°C
• solubility: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 11.41±0.60(Predicted)
• color: White to Off-White
• InChI: InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s1
• InChIKey: VPICQZQITAJOQA-ZOBORPQBSA-N
• SMILES: C(OCC1=CC=CC=C1)(=O)N[C@H]1[C@@]2([H])[C@@]([H])([C@@H](O)C1)OC(C)(C)O2

Description and Uses

Phenylmethyl ester N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-Carbamic acid is a useful chiral building block. It has been used in the synthesis of all-cis carbocyclic precursor of ticagrelor via oxidation/stereoselective reduction sequences.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405