106565-71-3

106565-71-3 - Names and Identifiers

Name	(3S,5R,8aS)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[2,3-f]pyridine-5-carbonitrile
Synonyms	XL 518 intermediate Cobimetinib Impurity 1 (3S,5R,8aS)-3-Phenylhexahydro-2H-oxazolo[3,2-a]pyridine-5-carbonitrile 5H-Oxazolo[3,2-a]pyridine-5-carbonitrile, hexahydro-3-phenyl-, (3S,5R,8aS)- (3S,5R,8aS)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-oxazolo[2,3-f]pyridine-5-carbonitrile [5H.oxazolo[3,2-a]piperidine-5-Carbonitrice,hexahydro-3-phenyl-[3alpha,5beta,8alpha,beta] (+)-2-Cyano-6-phenyloxazolopiperidine, [3-S-(3α,5β,8ab)]-Hexahydro-3-phenyl-5-H-oxazolo[3,2-a]pyridine-5-carbonitrile (+)-2-Cyano-6-phenyloxazolopiperidine, [3-S-(3α,5β,8ab)]-Hexahydro-3-phenyl-5-H-oxazolo[3,2-a]pyridine-5-carbonitrile
CAS	106565-71-3
InChI	InChI=1/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
InChIKey	GQHMNZGZXHZLEN-IUZLNWEFSA-N

106565-71-3 - Physico-chemical Properties

Molecular Formula	C14H16N2O
Molar Mass	228.29
Density	1.18g/cm³
Melting Point	79-83°C(lit.)
Boling Point	392.8°C at 760 mmHg
Flash Point	191.4°C
Vapor Presure	2.23E-06mmHg at 25°C
Storage Condition	Room Temprature
Refractive Index	1.593

106565-71-3 - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	22 - Harmful if swallowed
WGK Germany	2

106565-71-3 - Introduction

(3S,5R,8AS)-(+)-hexahydro-3-phenyl-5H-oxazolo [3,2-A] pyridine-5-carbonitrile is an organic compound with the chemical formula C16H17N3. The following is a description of the properties, uses, preparation and safety information of the compound:

Nature:
-Appearance:(3S,5R,8AS)-( )-hexahydro-3-phenyl-5H-oxazolo [3,2-A] pyridine-5-carbonitrile is a colorless To light yellow crystal.
-Melting point: The compound has a melting point, generally in the range of 65-68°C.
-Optical activity: It is an optical isomer with optical properties.

Use:
- (3S,5R,8AS)-( )-hexahydro-3-phenyl-5H-oxazolo [3,2-A] pyridine-5-carbonitrile can be used as chiral ligands and catalysts for asymmetric synthesis reactions, such as asymmetric hydrogenation of chiral ketones.
-It can also be used as an intermediate in organic synthesis to synthesize biologically active molecules.

Preparation Method:
-Generally, the preparation method of (3S,5R,8AS)-( )-hexahydro-3-phenyl-5H-oxazolo [3,2-A] pyridine-5-carbonitrile is through synthetic organic chemical reactions To complete. Specific preparation methods may be methods reported in the literature, such as asymmetric synthesis methods.

Safety Information:
-There is no sufficient research and report on the safety information of (3S,5R,8AS)-( )-hexahydro -3-phenyl -5H-oxazolo [3,2-A] pyridine-5-carbonitrile. Therefore, the use of this compound should follow the general laboratory safety procedures and take necessary protective measures, for example, wear appropriate protective glasses, gloves and laboratory coats to ensure safety. At the same time, depending on the specific situation, personal protective measures and waste disposal are also required. Before use, it is best to consult the relevant literature or consult with the appropriate organization for more detailed safety information.

Last Update：2024-04-10 22:29:15