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5063-03-6

Basic Information
CAS No.: 5063-03-6
Name: 5-ACETYL-2-NORBORNENE
Article Data: 107
Molecular Structure:
Molecular Structure of 5063-03-6 (5-ACETYL-2-NORBORNENE)
Formula: C9H12O
Molecular Weight: 136.194
Synonyms: Ketone,methyl 5-norbornen-2-yl (6CI,7CI,8CI);2-Acetyl-5-norbornene;2-Acetylbicyclo[2.2.1]hept-5-ene;5-Acetyl-2-norbornene;6-Acetylbicyclo[2.2.1]hept-2-ene;Methyl 5-norbornen-2-yl ketone;
EINECS: 225-767-0
Density: 1.049 g/cm3
Boiling Point: 191.5 °C at 760 mmHg
Flash Point: 61.7 °C
Appearance: clear light yellow to yellowish-brown liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 24/25
Transport Information: 1993
PSA: 17.07000
LogP: 1.78760
Synthetic route

N-methoxy-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

917-54-4

methyllithium

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
In tetrahydrofuran at -78 - 20℃;99%

N-hydroxy-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

917-54-4

methyllithium

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
In tetrahydrofuran at -78 - 20℃;99%
542-92-7

cyclopenta-1,3-diene

78-94-4

methyl vinyl ketone

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
With 1-ethyl-3-methyl-1H-imidazol-3-ium chloride at 20℃; for 0.166667h; Diels-Alder reaction;89%
With 2,2'-bipyridine core dendrimer; copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; Diels-Alder reaction;88%
4,4'-dihydroxy-2,2'-bipyridine-based dendritic Cu complex In dichloromethane at 20℃; Diels-Alder reaction;88%
6322-49-2

4-chloro-2-butanone

64-17-5

ethanol

127-08-2

potassium acetate

542-92-7

cyclopenta-1,3-diene

5063-03-6

2-acetyl-5-norbornene

6322-49-2

4-chloro-2-butanone

542-92-7

cyclopenta-1,3-diene

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
With ethanol; potassium acetate
13307-34-1

1-(Norborn-5-en-2-yl)-ethanol

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
With tetrabutyl-ammonium chloride; dihydrogen peroxide; potassium carbonate; ammonium heptamolybdate In tetrahydrofuran for 144h; Ambient temperature; Yield given;
3048-64-4

5-vinyl-2-norbornene

5063-03-6

2-acetyl-5-norbornene

Conditions
ConditionsYield
With tert.-butylhydroperoxide; silica-supported polyamidoamine dendrimer G1-C6-Pd(dba) In various solvent(s) at 55℃; for 24h;22 % Chromat.
542-92-7

cyclopenta-1,3-diene

78-94-4

methyl vinyl ketone

A

5063-03-6

2-acetyl-5-norbornene

B

824-60-2, 824-61-3, 5063-03-6, 65166-67-8, 107740-92-1, 128441-68-9, 58001-95-9

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester

C

107740-92-1

endo-2-acetyl-bicyclo[2.2.1]hept-5-ene

Conditions
ConditionsYield
With 2,6-dimethylpyridine; [Ru(η5-cyclopentadienyl)(BIPHOP-F)(acetone)][SbF6] In dichloromethane at -20℃; for 24h; Diels-Alder Cycloaddition; Molecular sieve; Schlenk technique; Inert atmosphere; Overall yield = 74 %; Overall yield = 66.2 mg;A n/a
B n/a
C n/a
542-92-7

cyclopenta-1,3-diene

78-94-4

methyl vinyl ketone

A

5063-03-6

2-acetyl-5-norbornene

C

159699-92-0

(2S)-1-bicyclo[2.2.1]hept-5-en-2-yl-ethanone

Conditions
ConditionsYield
With [Ru(η5-C8H7)((S,S)-BIPHOP-F)(acetone)][SbF6]; lithium diisopropyl amide In dichloromethane at -20℃; for 48h; Diels-Alder Cycloaddition; Molecular sieve; Schlenk technique; Inert atmosphere; Overall yield = 76 %; Overall yield = 68.4 mg;A n/a
B n/a
C n/a
1604-29-1

1,1-dimethyl-2-propynyl acetate

5063-03-6

2-acetyl-5-norbornene

Acetic acid 1-((1R,2R,3S,4S,5R,6S)-6-acetyl-tricyclo[3.2.1.02,4]oct-3-yl)-2-methyl-propenyl ester

Conditions
ConditionsYield
chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) In 1,4-dioxane at 20℃; for 17h;98%
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    5-ACETYL-2-NORBORNENE Chemical Properties Boiling point 84-86 °C18 mm Hg(lit.) density 1.005 g/mL at 25 °C(lit.) refractive index n20/D 1.484(lit.) Fp 143 °F form Liquid color Clear light yellow to yellow-brown Spe

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Specification

The CAS register number of 2-Acetyl-5-norbornene is 5063-03-6. It also can be called as 6-Acetylbicyclo[2.2.1]hept-2-ene and the IUPAC name about this chemical is 1-(5-bicyclo[2.2.1]hept-2-enyl)ethanone. The molecular formula about this chemical is C9H12O and the molecular weight is 136.19. It belongs to the Norbornene Derivatives. This chemical is harmful if swallowed. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2-Acetyl-5-norbornene are: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 7.49; (5)ACD/BCF (pH 7.4): 7.49; (6)ACD/KOC (pH 5.5): 147.14; (7)ACD/KOC (pH 7.4): 147.14; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 39.14 cm3; (13)Molar Volume: 129.7 cm3; (14)Polarizability: 15.51x10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Enthalpy of Vaporization: 42.77 kJ/mol; (17)Boiling Point: 191.5 °C at 760 mmHg; (18)Vapour Pressure: 0.514 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C1C[C@H]2/C=C\[C@@H]1C2)C
(2)InChI: InChI=1/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9?/m0/s1
(3)InChIKey: NIMLCWCLVJRPFY-ZQTLJVIJBW
(4)Std. InChI: InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3/t7-,8+,9?/m0/s1
(5)Std. InChIKey: NIMLCWCLVJRPFY-ZQTLJVIJSA-N