Tropinone - CAS 532-24-1

Name: Tropinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028090
Product Name:	Tropinone
CAS:	532-24-1
Synonyms:	8-methyl-8-azabicyclo[3.2.1]octan-3-one

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Computed Properties

IUPAC Name:	8-methyl-8-azabicyclo[3.2.1]octan-3-one
Description:	Tropinone (CAS# 532-24-1) is a useful research chemical.
Molecular Weight:	139.19
Molecular Formula:	C8H13NO
Canonical SMILES:	CN1C2CCC1CC(=O)C2
InChI:	InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
InChI Key:	QQXLDOJGLXJCSE-UHFFFAOYSA-N
Boiling Point:	113 °C (25 mmHg)
Purity:	95 %
Density:	66
Appearance:	White to light yellow crystal powde
MDL:	MFCD00005549
LogP:	0.75000

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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Publication Number	Title	Priority Date
US-2021061761-A1	Modulators of complex i	20190826
WO-2020185626-A1	Tropane alkaloid (ta) producing non-plant host cells, and methods of making and using the same	20190308
US-10287239-B1	Methods and compositions for terpenoid tricycloalkane synthesis	20180516
US-2019352254-A1	Methods and compositions for terpenoid tricycloalkane synthesis	20180516
US-2020399206-A1	Methods and compositions for terpenoid tricycloalkane synthesis	20180516

PMID	Publication Date	Title	Journal
30538251	20181211	Tropinone synthesis via an atypical polyketide synthase and P450-mediated cyclization	Nature communications
22778054	20121001	Total synthesis of (±)-parvineostemonine	Chemistry, an Asian journal
22861349	20120830	Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method	The journal of physical chemistry. A
22576951	20120714	Synthesis and applications of masked oxo-sulfinamides in asymmetric synthesis	Organic & biomolecular chemistry
22539412	20120601	13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides	Magnetic resonance in chemistry : MRC

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.099714038
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3