Description

2-(3,5,5-Trimethylcyclohex-2-en-1-ylidene)propanedinitrile (CAS No. 23051-44-7) is a high-purity organic compound with the molecular formula C₁₂H₁₄N₂. This specialized chemical features a unique cyclohexenylidene backbone functionalized with propanedinitrile, making it a valuable intermediate for synthetic organic chemistry and materials science applications. The compound is characterized by its high reactivity due to the presence of two nitrile groups, which serve as excellent electrophilic sites for further derivatization. It is supplied as a fine powder or crystalline solid with guaranteed purity levels suitable for research and industrial use. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 23051-44-7
• Complexity: 386
• IUPAC Name: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
• InChI: InChI=1S/C12H14N2/c1-9-4-10(11(7-13)8-14)6-12(2,3)5-9/h4H,5-6H2,1-3H3
• InChI Key: QTUUBOZSGQFLRZ-UHFFFAOYSA-N
• Exact Mass: 186.115698455
• Molecular Formula: C12H14N2
• Molecular Weight: 186.25
• SMILES: CC1=CC(=C(C#N)C#N)CC(C1)(C)C
• Topological: 47.6
• Monoisotopic Mass: 186.115698455
• Synonyms: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile, 622-414-6, 23051-44-7, Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (3,5,5-Trimethylcyclohex-2-enylidene)malononitrile, Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, 3-Dicyanomethylene-1,5,5-trimethylcyclohexene, MFCD00228058, (3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA&, C-1668, (3,5,5-Trimethyl-2-cyclohexen-1-ylidene)propanedinitrile, LCZC329, SCHEMBL2509795, DTXSID1073440, QTUUBOZSGQFLRZ-UHFFFAOYSA-N, HMS1607K17, BCP32005, YAA05144, NSC174848, AKOS001060660, NSC 174848, NSC-174848, NCGC00336229-01, AS-71187, SY133106, CS-0120086, ST51043654, EN300-04442, D85793, AB01329884-02, Z56860237, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)malononitrile, 2-(3,5,5-trimethyl-1-cyclohex-2-enylidene)-propanedinitrile, (3,5,5-trimethylcyclohex-2-enylidene)methane-1,1-dicarbonitrile, Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-;2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

Application

This compound is primarily utilized as a key intermediate in the synthesis of complex organic molecules, including dyes, pharmaceuticals, and agrochemicals. Its reactive nitrile groups enable participation in cycloaddition and nucleophilic substitution reactions. Researchers also employ it in the development of advanced materials such as organic semiconductors and liquid crystals due to its conjugated structure. Additionally, it serves as a building block for UV-absorbing compounds in specialty coatings.

Safety and Hazards

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Precautionary Statements

• P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

Hazard Classes and Categories

• Skin Sens. 1 (100%)

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