ChemicalBook--->CAS DataBase List--->13537-82-1

13537-82-1

13537-82-1 Structure

13537-82-1 Structure
IdentificationBack Directory
[Name]

ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE
[CAS]

13537-82-1
[Synonyms]

NSC 84213
Ai3-18159
Einecs 236-910-1
2-Carbethoxy-5-methylcyclohexanone
ethyl 4-methyl-2-oxocyclohexanecarboxylate
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE
ETHYL 4-METHYL-2-OXO-1-CYCLOHEXANECARBOXYLATE
ethyl4-?methyl-?2-?oxocyclohexane-?1-?carboxylate
2-Oxo-4-methylcyclohexanecarboxylic acid ethyl ester
4-Methyl-2-oxocyclohexanecarboxylic acid ethyl ester
Cyclohexanecarboxylic acid, 4-methyl-2-oxo-, ethyl ester
[EINECS(EC#)]

236-910-1
[Molecular Formula]

C10H16O3
[MDL Number]

MFCD00001632
[MOL File]

13537-82-1.mol
[Molecular Weight]

184.23
Chemical PropertiesBack Directory
[Melting point ]

53-54 °C
[Boiling point ]

128-132 °C/32 mmHg (lit.)
[density ]

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

28Pa at 25℃
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

>230 °F
[pka]

12.09±0.40(Predicted)
[Water Solubility ]

2.56g/L at 20℃
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

2-Carbethoxy-5-methylcyclohexanone is a useful chemical reagent in organic synthesis. It is reported that 2-Carbethoxy-5-methylcyclohexanone is used in the synthesis of optically active α-methylene γ-butyrolactones and (+)-mintlactone.
[Uses]

Reactant involved in:• ;Hydroxylation / oxidative chlorination with hydrogen peroxide1• ;Heterocyclization2• ;Cyclization of generated dianions followed by dehydrogenation3• ;Palladium-catalyzed isomerization4• ;Regioselective cyclizations5• ;Vinylogous Michael reactions6
[Uses]

Reactant involved in:
  • Hydroxylation / oxidative chlorination with hydrogen peroxide
  • Heterocyclization
  • Cyclization of generated dianions followed by dehydrogenation
  • Palladium-catalyzed isomerization
  • Regioselective cyclizations
  • Vinylogous Michael reactions
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(13537-82-1)1HNMR
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(13537-82-1)Raman
ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE(13537-82-1)IR
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