642002

(3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile

97%

• Synonym(s): (+)-2-Cyano-6-phenyloxazolopiperidine, [3S-(3α,5β,8aβ)]-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile
• Empirical Formula (Hill Notation): C₁₄H₁₆N₂O
• CAS Number: 106565-71-3
• Molecular Weight: 228.29
• MDL number: MFCD08276761
• UNSPSC Code: 12352005
• PubChem Substance ID: 24883163
• NACRES: NA.22

Properties

• assay: 97%
• form: solid
• mp: 79-83 °C (lit.)
• SMILES string: [H][C@]12CCC[C@H](C#N)N1[C@H](CO2)c3ccccc3
• InChI: 1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m1/s1
• InChI key: GQHMNZGZXHZLEN-MCIONIFRSA-N

Description

Application

(3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile can be used as a starting material:

• To prepare spirocyclic aminochroman derivatives as possible 5-HT_1A agonists.
• In the asymmetric synthesis of aza-analogs of podophyllotoxin as potent antitumor agents.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Faceshields, Gloves