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2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile

CAS No.
23051-44-7
Chemical Name:
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile
Synonyms
(3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA&;3-dicyanomethylene-1,5,5-trimethylcyclohexene;2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile;(3,5,5-trimethyl-2-cyclohexen-1-ylidene)propanedinitrile;(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-propanedinitril;2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile;Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-
CBNumber:
CB8500142
Molecular Formula:
C12H14N2
Molecular Weight:
186.25
MDL Number:
MFCD00228058
MOL File:
23051-44-7.mol
Last updated:2023-04-23 17:34:45

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Properties

Melting point 73-77 °C (lit.)
Boiling point 175-176 °C(Press: 19 Torr)
Density 1.007±0.06 g/cm3(Predicted)
storage temp. Sealed in dry,Room Temperature
color White to Light yellow powder to crystal
EPA Substance Registry System Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)- (23051-44-7)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P280
Hazard Codes  Xn
Risk Statements  22-43
Safety Statements  36/37
WGK Germany  3
RTECS  TY1590000

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile price More Price(4)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 643769 (3,5,5-Trimethylcyclohex-2-enylidene)malononitrile 23051-44-7 1g $78.1 2022-05-15 Buy
TRC B536895 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile 23051-44-7 500mg $130 2021-12-16 Buy
TRC B536895 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile 23051-44-7 100mg $45 2021-12-16 Buy
Activate Scientific AS145241 2-(3,5,5-Trimethylcyclohex-2-en-1-ylidene)propanedinitrile 95% 23051-44-7 1g $159 2021-12-16 Buy
Product number Packaging Price Buy
643769 1g $78.1 Buy
B536895 500mg $130 Buy
B536895 100mg $45 Buy
AS145241 1g $159 Buy

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Chemical Properties,Uses,Production

Synthesis

In a 100?mL round bottom flask, isophorone 3.45 g (25 mmol) and malononitrile 1.65 g (25 mmol) were dissolved in anhydrous ethanol 50 mL. Then sodium acetate trihydrate (1g, 12.5mmol) was added. The mixture was heated to 80°C and stirred for about 12h. The reaction progress was monitored by TLC. Once the starting isophorone disappeared on TLC and the target spot formed regularly, the reaction mixture was cooled to room temperature. The solid sodium acetate trihydrate was removed by filtration. 25mL Ethanol was removed in a vacuum. The left mixture stood still at 27°C overnight. The crystals were collected by filtration and washed carefully with cooled anhydrous ethanol. 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile can be obtained by recrystallization one more time from ethanol.

Structure and conformation

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile (C12H14N2), monoclinic, P21/c (no. 14), a = 10.16290(10)Å, b = 8.25800(10)Å, c = 13.4328(2), β = 95.910(1)°, V = 1121.36(2)Å3, Z = 4, R gt (F) = 0.0380, wR ref (F2) = 0.1126, T = 294 K.

78-59-1
109-77-3
23051-44-7
Synthesis of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile from Isophorone and Malononitrile

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile pictures 2023-04-24 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile
23051-44-7
US $3000.00-30000.00 / kg 100kg 98% 200kg Shanghai Qianyi New Material Co., Ltd.
(3 5 5-TRIMETHYLCYCLOHEX-2-ENYLIDENE)MA& (3,5,5-trimethyl-2-cyclohexen-1-ylidene)-propanedinitril (3,5,5-trimethyl-2-cyclohexen-1-ylidene)propanedinitrile 3-dicyanomethylene-1,5,5-trimethylcyclohexene 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile Propanedinitrile, 2-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)- 23051-44-7 Monomers Polymer Science Vinyl Halides, Amines, Amides, and Other Vinyl Monomers