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5063-03-6

5063-03-6 Structure

5063-03-6 Structure
IdentificationMore
[Name]

5-ACETYL-2-NORBORNENE
[CAS]

5063-03-6
[Synonyms]

1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-ETHANONE
2-ACETYL-5-NORBORNENE
5-ACETYL-2-NORBORNENE
5-ACETYLBICYCLO[2.2.1]HEPT-2-ENE
5-NORBORNENE-2-ACETYL
ACETYLNORBORNENE
METHYL 5-NORBORNEN-2-YL KETONE
Bicyclo[2.2.1]hept-2-ene, 5-acetyl-
Bicyclo[2.2.1]hept-5-ene, 2-acetyl-
Ethanone, 1-bicyclo[2.2.1]hept-5-en-2-yl-
2-Acetyl-5-norbornene, mixture of endo and exo
2-Acetyl-5-norbornene, tech. mixture of endo and exo
methyl (8,9,10-trinorborn-5-en-2-yl) ketone
5-ACETYL-2-NORBORNENE 95%
2-ACETYL-5-NORBORNENE, MIXTURE OF ENDO AND EXO, TECHN.
1-(Bicyclo[2.2.1]hepta-5-ene-2-yl)ethanone
2-Acetylnorborna-5-ene
5-Acetylnorborn-2-ene
6-Acetylbicyclo[2.2.1]hepta-2-ene
Bicyclo[2.2.1]hept-5-en-2-yl(methyl) ketone
[EINECS(EC#)]

225-767-0
[Molecular Formula]

C9H12O
[MDL Number]

MFCD00167570
[Molecular Weight]

136.19
[MOL File]

5063-03-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow to yellowish-brown liquid
[Boiling point ]

84-86 °C18 mm Hg(lit.)
[density ]

1.005 g/mL at 25 °C(lit.)
[vapor pressure ]

45.33Pa at 25℃
[refractive index ]

n20/D 1.484(lit.)
[Fp ]

143 °F
[storage temp. ]

4°C
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Liquid
[color ]

Clear light yellow to yellow-brown
[Specific Gravity]

1.005
[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?/m1/s1
[InChIKey]

NIMLCWCLVJRPFY-WGTSGOJVSA-N
[SMILES]

CC(=O)C1C[C@H]2C[C@@H]1C=C2
[LogP]

2.05
[CAS DataBase Reference]

5063-03-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

1993
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow to yellowish-brown liquid
[Uses]

2-Acetyl-5-norbornene was used in the synthesis of the 2-acetylnorbornyl isothiocyanates: exo-2-acetyl-exo-6-isothiocyanatonorbornane, endo-2-acetyl-exo-6-isothiocyanatonorbornane and exo-2-acetyl-exo-5-isothiocyanatonorbornane.
[General Description]

2-Acetyl-5-norbornene, mixture of endo and exo is a colorless to light yellow liquid.
[Synthesis]

endo-2-Acetylbicyclo[2.2.1]hept-5-ene

824-60-2

endo-2-Acetylbicyclo[2.2.1]hept-5-ene

824-60-2

The general procedure for synthesizing endo-5-acetyl-2-norbornene from endo-5-acetyl-2-norbornene was as follows: in a sealed vessel equipped with a 15 mL stir bar, 6.81 g (50 mmol) of 2-acetyl-5-norbornene (containing 18.7% of the exoform and 79.7% of the endoform isomer, and the ratio of the exoform to the endoform isomer was 0.23) as component (A), followed by the addition of 0.21 g (2.5 mmol) of N-methylpyrrolidine. The vessel was sealed under nitrogen protection and the reaction mixture was placed in a thermostatic bath and the reaction was stirred sequentially at 100 °C, 120 °C and 140 °C for 2 h each to promote the differential isomerization reaction. The reaction process was monitored by gas chromatography (GC) and the results of GC analysis were recorded in Table 6.

[References]

[1] Patent: JP2015/3879, 2015, A. Location in patent: Paragraph 0039-0041
Spectrum DetailBack Directory
[Spectrum Detail]

5-ACETYL-2-NORBORNENE(5063-03-6)MS
5-ACETYL-2-NORBORNENE(5063-03-6)1HNMR
5-ACETYL-2-NORBORNENE(5063-03-6)13CNMR
5-ACETYL-2-NORBORNENE(5063-03-6)IR1
5-ACETYL-2-NORBORNENE(5063-03-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Acetyl-5-norbornene, mixture of endo and exo, techn.(5063-03-6)
[Sigma Aldrich]

5063-03-6(sigmaaldrich)
[TCI AMERICA]

5-Acetyl-2-norbornene,>95.0%(GC)(5063-03-6)
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