31148-95-5

Basic information

• Product Name: 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
• Synonyms: 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,10aa)]-; Abietonitrile, dehydro- (6CI); Podocarpa-8,11,13-triene-15-nitrile,13-isopropyl- (7CI,8CI); Dehydroabietonitrile; Dehydroabietylnitrile; NSC146197; NSC 2954
• CAS NO: 31148-95-5
• Molecular Formula: C20H27 N
• Molecular Weight: 281.441
• Mol File: 31148-95-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 402.4°Cat760mmHg
• Flash Point: 152.2°C
• Density: 1.01g/cm³
• CAS DataBase Reference: 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-(31148-95-5)
• EPA Substance Registry System: 1-Phenanthrenecarbonitrile,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-(31148-95-5)

Safety Data

• Hazardous Substances Data: 31148-95-5(Hazardous Substances Data)

Usage

Class of compound

Phenanthrenes and derivatives

Molecular weight

307.5 g/mol

Pharmaceutical properties

Used in the development and production of various pharmaceutical drugs

Industrial applications

Research and development of new chemical compounds

Upstream product

• 1740-19-8 dehydroabietic acid 
• 35928-32-6 (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxamide 
• 1446-61-3 leelamine 

Downstream Products

• 114695-46-4 13-(4-methoxy-trans-cinnamoyl)-7-oxo-podocarpa-8,11,13-triene-15-nitrile 
• 114508-30-4 13-cinnamoyl-7-oxo-podocarpa-8,11,13-triene-15-nitrile 
• 114599-00-7 13-trans-cinnamoyl-podocarpa-8,11,13-triene-15-nitrile 
• 13601-88-2 dehydroabietinal 
• 5335-58-0 12-acetyl-abieta-8,11,13-triene-18-nitrile 
• 1446-61-3 leelamine 

Relevant articles and documents

Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents

Amidine-based optically active resolving agents for enantiomer separation of axially chiral 1,1′-biaryl-2,2′-diols have been developed. A strongly basic amidine bearing no substituents on its nitrogen atoms enables the formation of their diastereomeric salts upon being mixed with weakly acidic phenol derivatives. Enantiopure 1,1′-biaryl-2,2′-diols can be obtained in high yields after only one crystallization of their salts with the chiral amidine derived from dehydroabietic acid. X-ray crystallography revealed that the amidine moiety forms a salt with the phenol group and additional intermolecular NH/π interactions contribute to the efficient chiral recognition process.