ChemicalBook--->CAS DataBase List--->36127-17-0

36127-17-0

36127-17-0 Structure

36127-17-0 Structure
IdentificationBack Directory
[Name]

2-CARBOMETHOXY-3-TROPINONE
[CAS]

36127-17-0
[Synonyms]

CARBMETHOXY-TROPINONE
CARBOMETHOXY-TROPINONE
2-CARBOMETHOXY-3-TROPINONE
2-(Methoxycarbonyl)-3-tropanone
8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-COOMe
Methyl 8-Methyl-3-oxobicyclo[3.2.1]octane-2-carboxylate
2-(Methoxycarbonyl)-3-tropinone (1.0 mg/mL in Methanol)
Methyl 8-Methyl-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate
8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 8-Methyl-3-oxo-, Methyl ester
(1S,4S,5R)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
[EINECS(EC#)]

237-344-8
[Molecular Formula]

C10H15NO3
[MDL Number]

MFCD03426159
[MOL File]

36127-17-0.mol
[Molecular Weight]

197.23
Chemical PropertiesBack Directory
[Melting point ]

104℃ (approx)
[Boiling point ]

92-95 °C(Press: 0.3 Torr)
[density ]

1.173±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

10.89±0.20(Predicted)
[color ]

Light Brown to Brown
[InChI]

InChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3
[InChIKey]

WXEMSGQRTGSYOG-UHFFFAOYSA-N
[SMILES]

C12N(C)C(CC1)CC(=O)C2C(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

2-Carbomethoxy-3-tropinone is an advanced intermediate in the biosynthesis of cocaine.
[Uses]

rac-8-Methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic Acid Methyl Ester is an intermediate in the synthesis of cocaine isomers at the cocaine receptor.
Spectrum DetailBack Directory
[Spectrum Detail]

2-CARBOMETHOXY-3-TROPINONE(36127-17-0)1HNMR
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