2-Allylcyclohexanone

Names

[ CAS No. ]:
94-66-6

[ Name ]:
2-Allylcyclohexanone

[Synonym ]:
EINECS 202-352-2
MFCD00043548
2-prop-2-enylcyclohexan-1-one

Chemical & Physical Properties

[ Density]:
0.927 g/mL at 25 °C(lit.)

[ Boiling Point ]:
94 °C23 mm Hg(lit.)

[ Molecular Formula ]:
C₉H₁₄O

[ Molecular Weight ]:
138.20700

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
138.10400

[ PSA ]:
17.07000

[ LogP ]:
2.32180

[ Vapour Pressure ]:
0.378mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.469(lit.)

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S22-S26-S36/37/39-S45

[ RIDADR ]:
UN 3077

[ WGK Germany ]:
3

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Cyclohexanone
Allyl alcohol
Allyl acetate
allyl bromide
allyl cyclohex-1-en-1-yl carbonate
tributyl(cyclohexen-1-yloxy)stannane
prop-2-enoxycyclohexane
[(Allyloxy)methyl]benzene
(Allyloxy)benzene
allyl n-propyl ether

DownStream

2-(3-bromopropyl)cyclohexan-1-one
6-Methyltetraphene
2-[2-(2,5-dimethylphenyl)propyl]cyclohexan-1-one
2-(2-oxocyclohexyl)acetic acid
4a-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Cyclohexanone, 2-(2-oxiranylmethyl)
7-prop-2-enyloxepan-2-one
3-(2-propenyl)oxepan-2-one
methyl 2-(2-oxo-1-prop-2-enylcyclohex-3-en-1-yl)acetate
1,1-dimethoxy-2-prop-2-enylcyclohexane

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Mn(III)-Based Oxidative Free-Radical Cyclizations of Unsaturated Ketones.

J. Org. Chem. 61(22) , 7832-7847, (1996)

Mn(III)-based oxidative free-radical cyclization of unsaturated ketones is a versatile synthetic procedure with broad applicability. For example, oxidation of cyclopentanone 1a with 2 equiv of Mn(OAc)...

A simplified procedure for epoxidation by benzonitrile-hydrogen peroxide. Selective oxidation of 2-allylcyclohexanone. Payne GB.

Tetrahedron 18(6) , 763-65, (1962)

Stereochemical Studies. IX. Asymmetric Synthesis of 2-Alkylcyclo-hexanones with Enamine Alkylation. Hiroi K, et al.

Chem. Pharm. Bull. 20 , 246-57, (1972)