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ChemicalBook--->CAS DataBase List--->185099-67-6

185099-67-6

185099-67-6 Structure

185099-67-6 Structure
IdentificationMore
[Name]

N-Boc-Nortropinone
[CAS]

185099-67-6
[Synonyms]

8-AZABICYCLO[3.2.1]OCTAN-3-ONE, N-BOC PROTECTED
8-BOC-8-AZABICYCLO[3.2.1]OCTAN-3-ONE
BOC-NORTROPINONE
BOC-NTP
N-BOC-NORTROPINONE
RARECHEM EM WB 0263
TERT-BUTYL 3-OXO-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
N-(tert-Butoxycarbonyl)nortropinone
Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
TERT-BUTYL(1R,5S)-3-OXO-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE
8-Azabicyclo[3.2.1]octan-3-one, N-BOC protected 97%
BOC-NORTROPINONE (BOC-NTP)
N-BOC-NOROROPINONE
N-Boc-Notropinone
3-Oxo-8-azabicyclo[3.2.1]octane-8-carboxylic Acid 1,1-Dimethylethyl Ester
N-Boc-nortropin-3-one
8-Boc-8-azabicyclo[3.2.1]octan-3-one(N-Boc-nortropinone)
[EINECS(EC#)]

626-467-6
[Molecular Formula]

C12H19NO3
[MDL Number]

MFCD00673779
[Molecular Weight]

225.28
[MOL File]

185099-67-6.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

70-74 °C
[Boiling point ]

325.8±35.0 °C(Predicted)
[density ]

1.139±0.06 g/cm3(Predicted)
[storage temp. ]

Store at 0-5°C
[solubility ]

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

Solid
[pka]

-1.65±0.20(Predicted)
[color ]

Off-White
[Usage]

A 8-azabicyclo[3.2.1]octane derivative useful as opioid receptor modulator.
[Detection Methods]

HPLC
[InChI]

InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-9H,4-7H2,1-3H3
[InChIKey]

MENILFUADYEXNU-DTORHVGOSA-N
[SMILES]

C12N(C(OC(C)(C)C)=O)C(CC1)CC(=O)C2
[CAS DataBase Reference]

185099-67-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29399990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Dichloromethane-->Sodium sulfate-->Triethylamine-->Acetone-->Di-tert-butyl dicarbonate-->Tropinone-->1-Chloroethyl chloroformate
[Preparation Products]

tert-Butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate-->N-Boc-exo-3-aminotropane-->8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3-endo)--->8-Nortropanecarbonitrile,3-oxo-(7CI)-->N-Boc-3-Cyano-8-azabicyclo[3.2.1]octane
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

N-Boc-Nortropinone is a 8-azabicyclo[3.2.1]octane derivative useful as opioid receptor modulator.
[Definition]

N-Boc-Nortropinone can be used for the preparation of Tropine derivatives. Tropine and its derivatives are a class of important heterocyclic compounds, which are alkaloids present in natural plants. Due to their diverse biological activities, they are widely used in the fields of pesticides, pharmaceuticals, and chemical industries. N-Boc-Nortropinone can also be used to synthesize a new bicyclic vinyl boronate[1].
[References]

[1] Shyamali Ghosh. “Convenient preparation of aryl-substituted nortropanes by SuzukiMiyaura methodology.” Canadian Journal of Chemistry 29 1 (2006): 555–560.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Boc-Nortropinone(185099-67-6)1HNMR
N-Boc-Nortropinone(185099-67-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate(185099-67-6)
[Sigma Aldrich]

185099-67-6(sigmaaldrich)
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