1-Cyclohexene-1-acetonitrile supplier

Name
1-Cyclohexene-1-acetonitrile
EINECS 230-235-6
CAS No. 6975-71-9
Article Data26
CAS DataBase
Density 0.941 g/cm³
Solubility
Melting Point
Formula C₈H₁₁N
Boiling Point 215.6 °C at 760 mmHg
Molecular Weight 121.182
Flash Point 83.9 °C
Transport Information
Appearance Clear yellow to orange liquid
Safety 26-27-36/37/39-36/37
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms 1-Cyclohexen-1-ylacetonitrile;1-Cyclohexene-1-acetonitrile;2-(1-Cyclohexenyl)acetonitrile;NSC 21642;
PSA 23.79000
LogP 2.40048

Synthetic route

: 3399-73-3
2-(1-cyclohexenyl)ethylamine

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With nickel(II) sulphate; sodium hydroxide; dipotassium peroxodisulfate In dichloromethane for 24h; Ambient temperature;	95%
With oxygen; RuHAP In toluene at 110℃; for 24h;	99 % Chromat.
With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 2250.23 Torr; for 15h; Autoclave; Green chemistry;	90 %Chromat.

: 29625-35-2
(+/-)-2-(7-oxabicyclo[4.1.0]heptyl)ethanenitrile

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With sodium iodide; tin(ll) chloride In ethanol for 0.05h; Reflux; Green chemistry;	85%

: 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile

: 141-52-6
sodium ethanolate

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
at 25℃; Kinetics;

: 6802-76-2
ethyl 2-cyano-2-cyclohexylideneacetate

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With pyrex-glass at 510℃;

: 37107-50-9
2-cyano-2-cyclohexylideneacetic acid

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
under 50 Torr; bei der Destillation;
With pyridine; copper
With pyridine; nitric acid
at 165 - 175℃;

: 112005-21-7
cyano-cyclohex-1-enyl-acetic acid

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
under 90 Torr; durch Destillation;

: 108-94-1
cyclohexanone

: 372-09-8
cyanoacetic acid

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With piperidine at 105℃;
With ammonium acetate; benzene Erhitzen des Reaktionsprodukts unter 35-45 Torr auf 165-175grad;
With ammonium acetate; benzene Erhitzen des Reaktionsprodukts unter 50-70 Torr auf 130-140grad;

: 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 165℃; for 14h;

: 1885-22-9
bromomalononitrile

: 110-83-8
cyclohexene

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
(i) CH2N2, (ii) aq. HCl, AcOH; Multistep reaction;

: 90242-33-4
2-(2-hydroxycyclohexyl)acetonitrile

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With acetic anhydride for 6h; Heating; Yield given;

Δ1-cyclohexenyl-acetamide: Δ1-cyclohexenyl-acetamide

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With phosphorus pentachloride; trichlorophosphate

: 42185-27-3
2-(cyanomethyl)cyclohexanone

: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / methanol; H2O / 1 h / Ambient temperature 2: acetic anhydride / 6 h / Heating View Scheme

: 108-94-1
cyclohexanone

: 75-05-8
acetonitrile

A: 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile

B: 6975-71-9
1-cyclohexenylacetonitrile

Conditions

Conditions	Yield
With potassium hydroxide Reflux;

...Expand

: 67-56-1
methanol

: 6975-71-9
1-cyclohexenylacetonitrile

: 53723-52-7
methyl 1-cyclohexene-1-acetate

Conditions

Conditions	Yield
With sulfuric acid for 72h; Heating;	99%
With sulfuric acid for 72h; Reflux;	84%
With sulfuric acid Heating;

: 6975-71-9
1-cyclohexenylacetonitrile

: 42370-81-0
2-(cyclohex-1-en-1-yl)acetaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride In toluene 1.) -78 deg C, 15 min, 2.) -78 deg C to r.t., 1 h, 3.) r.t., 1 h;	98%
Multi-step reaction with 2 steps 1: Raney nickel; methanol; acetic acid / Hydrogenation 2: diethyl ether; HCl; water View Scheme

: 6975-71-9
1-cyclohexenylacetonitrile

: 3399-73-3
2-(1-cyclohexenyl)ethylamine

Conditions

Conditions	Yield
With sodium bis(2-methoxyethoxy)aluminium dihydride In tetrahydrofuran at 15℃; for 21h; Solvent; Inert atmosphere; Green chemistry;	95%
With hydrogen In ethanol at 70℃; under 15001.5 Torr; Temperature; Pressure; Autoclave;	91.8%
With lithium aluminium tetrahydride In di-isopropyl ether 1.) 5 deg C, 1 h, 2.) RT, 2 h;	89.5%

: 6975-71-9
1-cyclohexenylacetonitrile

: 1521-51-3
rac-3-bromocyclohexene

: 2-(cyclohex-1-en-1-yl)-N-(cyclohex-2-en-1-yl)acetamide

Conditions

Conditions	Yield
With water; silver trifluoromethanesulfonate at 0℃; for 1h; Ritter Amidation; chemoselective reaction;	95%

: 6975-71-9
1-cyclohexenylacetonitrile

: 29625-35-2
(+/-)-2-(7-oxabicyclo[4.1.0]heptyl)ethanenitrile

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃;	93%

: 6975-71-9
1-cyclohexenylacetonitrile

: 1337922-05-0
5-(cyclohexenylmethyl)-1H-tetrazole

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide at 120℃; for 14h;	93%

: 6975-71-9
1-cyclohexenylacetonitrile

A: 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile

B: 38931-64-5
2-(1-Cyclohexenyl)-3,3-pentamethylenglutarsaeuredinitril

Conditions

Conditions	Yield
With P(MeNCH2CH2)3N In methanol at 50℃; for 0.166667h;	A 10% B 90%

: 6975-71-9
1-cyclohexenylacetonitrile

: 18294-87-6
1-cyclohexenylacetic acid

Conditions

Conditions	Yield
With sodium hydroxide In water for 20h; Heating;	85%
With potassium hydroxide Heating;	75%
With sodium hydroxide In ethanol for 18h; Heating;	74%

: 6975-71-9
1-cyclohexenylacetonitrile

: 1-cyclohexenylacetonitrile-d2

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; water-d2 at 70℃; for 24h; Inert atmosphere;	85%

: 6975-71-9
1-cyclohexenylacetonitrile

: 501-65-5
diphenyl acetylene

: 2-(cyclohex-1-en-1-ylmethyl)-3,4,5,6-tetraphenylpyridine

Conditions

Conditions	Yield
With 1,4-di(diphenylphosphino)-butane; cobalt(II) iodide; zinc In N,N-dimethyl acetamide at 80℃; for 24h; Inert atmosphere;	79%

: 6975-71-9
1-cyclohexenylacetonitrile

: 87143-30-4
(cyclohex-1-en-1-yl)-CH2-CO-NH2

Conditions

Conditions	Yield
With dihydrogen peroxide; hexadecyltrimethylammonium methanesulfonate; sodium hydroxide In water at 25℃; for 1h;	68%
With sulfuric acid; acetic acid
With sodium hydroxide; dihydrogen peroxide; dimethyl sulfoxide In methanol; water at 50℃; for 1h;	95 % Spectr.

: 6975-71-9
1-cyclohexenylacetonitrile

: 68-11-1
mercaptoacetic acid

: (2-cyanomethylcyclohexylthio)acetic acid

Conditions

Conditions	Yield
With azobisisobutyronitrile In acetic acid Irradiation;	67%

: 6975-71-9
1-cyclohexenylacetonitrile

: 2-(7-azabicyclo[4.1.0]heptan-1-yl)acetonitrile

Conditions

Conditions	Yield
With pyridine; bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; hydroxylamine-O-sulfonic acid at 25℃; for 2.5h; chemoselective reaction;	59%

: 6975-71-9
1-cyclohexenylacetonitrile

: 190452-02-9
2-oxo-6-cycloheptenecarbonitrile

Conditions

Conditions	Yield
Stage #1: 1-cyclohexenylacetonitrile With ozone In dichloromethane at -78℃; Stage #2: With dimethylsulfide In dichloromethane at 20℃; for 36h; Inert atmosphere;	58%
With dimethylsulfide; toluene-4-sulfonic acid; ozone 1.) acetone, -78 deg C, 2.) CH2Cl2, room temperature, 5-30 h; Yield given. Multistep reaction;

: 504-29-0
2-aminopyridine

: 6975-71-9
1-cyclohexenylacetonitrile

: 1606181-81-0
2-cyclohexenyl-N-(pyridin-2-yl)acetimidamide

Conditions

Conditions	Yield
Stage #1: 2-aminopyridine; 1-cyclohexenylacetonitrile at 80 - 90℃; for 0.5h; Stage #2: With tin(IV) chloride at 100 - 110℃;	55%

: 108-86-1
bromobenzene

: 6975-71-9
1-cyclohexenylacetonitrile

: 1017-23-8
2-(cyclohex-1-en-1-yl)-1-phenylethan-1-one

Conditions

Conditions	Yield
With bis(cyclopentadienyl)titanium dichloride; chloro-trimethyl-silane; [nickel(II)dichloride(dimethoxyethane)]; trifluoroacetic acid; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc In 1,4-dioxane at 60℃; chemoselective reaction;	55%

: 6975-71-9
1-cyclohexenylacetonitrile

: 199276-58-9
pent-4-ynyl-1-azide

A: 1394843-48-1
3-cyclohex-1-enylmethyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole

B: 1394843-37-8
5,6-ddihydro-4H-pyrrolo[1,2-c][1,2,3]triazole

Conditions

Conditions	Yield
With gold(III) chloride; methanesulfonic acid at 20℃; for 8h; Huisgen Cycloaddition; regioselective reaction;	A 50% B 13 %Spectr.

...Expand

: 6975-71-9
1-cyclohexenylacetonitrile

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 2-(7,7-difluorobicyclo[4.1.0]heptan-1-yl)acetonitrile

Conditions

Conditions	Yield
With sodium iodide In tetrahydrofuran for 8h; Reflux;	50%

: 6975-71-9
1-cyclohexenylacetonitrile

: 108-94-1
cyclohexanone

: 3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline-1-spiro-1'-cyclohexane

Conditions

Conditions	Yield
With PPA at 100℃; for 0.25h;	42%

: 6975-71-9
1-cyclohexenylacetonitrile

: phenylmagnesium bromide

: 1017-23-8
2-(cyclohex-1-en-1-yl)-1-phenylethan-1-one

Conditions

Conditions	Yield
Stage #1: 1-cyclohexenylacetonitrile; phenylmagnesium bromide In diethyl ether for 3h; Heating; Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether at 0 - 20℃;	33%

: (CO)4Fe(Si(CH3)2C6H4Si(CH3)2)

: 6975-71-9
1-cyclohexenylacetonitrile

: 95192-88-4
(CO)3Fe(C6H4Si(CH3)2N(Si(CH3)2)CHCHC6H9)

Conditions

Conditions	Yield
In hexane Irradiation (UV/VIS); inert atmosphere, soln. of the compounds irradiated for 44 h at room temp. (Hg-lamp); crystd. from hexane, elem. anal.;	30%

: 6975-71-9
1-cyclohexenylacetonitrile

A: 1192-88-7
1-cyclohexene-1-carboxaldehyde

B: 1096537-67-5
C8H11NO

Conditions

Conditions	Yield
With selenium(IV) oxide In dichloromethane at 20℃; for 24h; Inert atmosphere;	A 9% B 30%

: 6975-71-9
1-cyclohexenylacetonitrile

: 100-52-7
benzaldehyde

A: 80999-16-2
1-phenyl-3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline

B 1-phenyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroisoquinoline: 1-phenyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroisoquinoline

C: 1-phenyl-3-oxo-1,2,3,4,6,7,8,8a-octahydroisoquinoline

Conditions

Conditions	Yield
With methanesulfonic acid; phosphorus pentoxide for 0.166667h; Ambient temperature; Yields of byproduct given;	A 27% B n/a C n/a
With methanesulfonic acid; phosphorus pentoxide for 0.166667h; Ambient temperature; Yield given. Yields of byproduct given;	A 27% B n/a C n/a

...Expand

: 100-48-1
pyridine-4-carbonitrile

: 6975-71-9
1-cyclohexenylacetonitrile

A: 100190-68-9
(3-Pyridin-4-yl-cyclohex-1-enyl)-acetonitrile

B: 89344-81-0
(6-Pyridin-4-yl-cyclohex-1-enyl)-acetonitrile

Conditions

Conditions	Yield
In acetonitrile for 1h; Product distribution; Mechanism; Irradiation; var. alkenes;	A 7.6% B 5.5%
In acetonitrile for 1h; Irradiation;	A 7.6% B 5.5%

...Expand

: 6975-71-9
1-cyclohexenylacetonitrile

: 100-52-7
benzaldehyde

A: 80999-16-2
1-phenyl-3-oxo-1,2,3,4,5,6,7,8-octahydroisoquinoline

B: 1-phenyl-3-oxo-2,3,4,4a,5,6,7,8-octahydroisoquinoline

C: 1-phenyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroisoquinoline

Conditions

Conditions	Yield
With PPA at 100℃; for 0.25h; Mechanism;	A n/a B 2% C n/a
With PPA; Polyphosphoric acid (PPA) at 100℃; for 0.25h;	A n/a B 2% C n/a

...Expand

: 917-64-6
methyl magnesium iodide

: 6975-71-9
1-cyclohexenylacetonitrile

: 768-50-3
1-cyclohexenylacetone

Conditions

Conditions	Yield
With toluene ether

: 120-57-0
piperonal

: 6975-71-9
1-cyclohexenylacetonitrile

: 3-benzo[1,3]dioxol-5-yl-2-cyclohex-1-enyl-acrylonitrile

Conditions

Conditions	Yield
With sodium ethanolate

: 64-17-5
ethanol

: 6975-71-9
1-cyclohexenylacetonitrile

: 141-52-6
sodium ethanolate

: 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile

Conditions

Conditions	Yield
Kinetics; Isomerisierung;

...Expand

1-Cyclohexene-1-acetonitrile Chemical Properties

IUPAC Name: 2-Cyclohexen-1-ylacetonitrile
Following is the structure of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9):

Empirical Formula: C₈H₁₁N
Molecular Weight: 121.1796 g/mol
EINECS: 230-235-6
Index of Refraction: 1.479
Molar Refractivity: 36.51 cm³
Molar Volume: 128.6 cm³
Density: 0.941 g/cm³
Flash Point: 83.9 °C
Surface Tension: 35.4 dyne/cm
Enthalpy of Vaporization: 45.19 kJ/mol
Boiling Point: 215.6 °C at 760 mmHg
Vapour Pressure of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9): 0.147 mmHg at 25 °C
Appearance of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9): Clear yellow to orange liquid
Canonical SMILES: C1CCC(=CC1)CC#N
InChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChIKey: OYEXEQFKIPJKJK-UHFFFAOYSA-N

1-Cyclohexene-1-acetonitrile Toxicity Data With Reference

1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.

1-Cyclohexene-1-acetonitrile Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-27-36/37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
TSCA: T

1-Cyclohexene-1-acetonitrile Specification

1-Cyclohexene-1-acetonitrile , its cas register number is 6975-71-9. It also can be called Cyclohex-1-ene-1-acetonitrile ; Cyclohexenylacetonitrile ; and 1-Cyclohexenylacetonitrile .
1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.

Product Name

1-Cyclohexene-1-acetonitrile

Synthetic route

1-Cyclohexene-1-acetonitrile Chemical Properties

1-Cyclohexene-1-acetonitrile Toxicity Data With Reference

1-Cyclohexene-1-acetonitrile Safety Profile

1-Cyclohexene-1-acetonitrile Specification

Related Products

Hot Products