111742-46-2

Basic information

• Product Name: 2,5-Pentalenedicarbonitrile,octahydro-,(2-alpha-,3a-bta-,5-alpha-,6a-bta-)-(9CI)
• Synonyms: 2,5-Pentalenedicarbonitrile,octahydro-,(2-alpha-,3a-bta-,5-alpha-,6a-bta-)-(9CI)
• CAS NO: 111742-46-2
• Molecular Formula: C10H12N2
• Molecular Weight: 160.21568
• Product Categories: CYCLOPENTANE
• Mol File: 111742-46-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,5-Pentalenedicarbonitrile,octahydro-,(2-alpha-,3a-bta-,5-alpha-,6a-bta-)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Pentalenedicarbonitrile,octahydro-,(2-alpha-,3a-bta-,5-alpha-,6a-bta-)-(9CI)(111742-46-2)
• EPA Substance Registry System: 2,5-Pentalenedicarbonitrile,octahydro-,(2-alpha-,3a-bta-,5-alpha-,6a-bta-)-(9CI)(111742-46-2)

Safety Data

• Hazardous Substances Data: 111742-46-2(Hazardous Substances Data)

Usage

Type of compound

Saturated cyclic hydrocarbon with two carbon-to-nitrogen triple bonds

Physical state

Colorless liquid

Molecular weight

186.25

Melting point

-44 °C

Usage

Building block for the preparation of various organic compounds, commonly used in organic synthesis

Potential applications

Production of pharmaceuticals, agrochemicals, and specialty chemicals

Safety

Handle with care and follow safety protocols due to potential hazards.

Upstream product

• 51716-63-3 cis-bicyclo[3. 3. 0]octane-3,7-dione 
• 197085-78-2 3,7-dicyano-3,7-bis(trimethylsilyloxy)cis-bicyclo[3.3.0]octane 
• 111717-99-8 2,5-Dihydroxy-octahydro-pentalene-2,5-dicarbonitrile 

Relevant articles and documents

A NEW SYNTHETIC ENTRY INTO THE TRICYCLO3,7>OCTANE SKELETON

A short synthesis of dimethyl tricyclo3,7>octane-1,5-dicarboxylate, 13, and its 3,7-dimethyl-derivative, 14, by iodine oxidation of the bis-enolate derived from the corresponding dimethyl cis-bicyclooctane-3,7-dicarboxylate, 11 or 12, is described.

A Short Synthesis of Dimethyl Tricyclo3,7>octane-1,5-dicarboxylate and its 3,7-Dimethyl Derivative. A New Route to the Tricyclo3,7>octane Skeleton

Five-step syntheses of dimethyl tricyclo3,7>octane-1,5-dicarboxylate (13) and its 3,7-dimethyl derivative 14 from the readily available cis-bicyclooctane-3,7-diones 1 and 2, respectively, are described.The key-step implies the iodine oxidation of the bis-enolate derived from the corresponding dimethyl cis-bicyclooctane-3,7-dicarboxylates 11 and 12, thus being developed a new synthetic entry into the tricyclo3,7>octane skeleton.Also, some attempts to synthesize diester 13 by using known methodology for the synthesis of compounds containing this tricyclic skeleton are described.