exo-6-Hydroxytropinone - CAS 5932-53-6

Catalog:	BB030347
Product Name:	exo-6-Hydroxytropinone
CAS:	5932-53-6
Synonyms:	(1R,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	(1R,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Description:	exo-6-Hydroxytropinone (CAS# 5932-53-6) is a useful reagent for the preparation of racemic scopolamine (tropane alkaloid).
Molecular Weight:	155.19
Molecular Formula:	C8H13NO2
Canonical SMILES:	CN1C2CC(C1CC(=O)C2)O
InChI:	InChI=1S/C8H13NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5,7-8,11H,2-4H2,1H3/t5-,7+,8-/m0/s1
InChI Key:	UOHSTKWPZWFYTF-ARDNSNSESA-N
Boiling Point:	291.6 °C at 760 mmHg
Density:	1.217 g/cm³
Appearance:	Solid
MDL:	MFCD00005550
LogP:	-0.27920

Publication Number	Title	Priority Date
EP-0944627-A1	8-azabicyclo 3.2.1]octane-, 8-azabicyclo 3.2.1]oct-6-ene-, 9-azabicyclo 3.3.1]nonane-, 9-aza-3-oxabicyclo 3.3.1]nonane- and 9-aza-3-thiabicyclo 3.3.1]nonane derivatives, their preparation and their use as insecticides	19961126
EP-0944627-B1	8-azabicyclo 3.2.1]octane-, 8-azabicyclo 3.2.1]oct-6-ene-, 9-azabicyclo 3.3.1]nonane-, 9-aza-3-oxabicyclo 3.3.1]nonane- and 9-aza-3-thiabicyclo 3.3.1]nonane derivatives, their preparation and their use as insecticides	19961126
US-2002061913-A1	Bicyclic amine derivatives	19961126
US-5968947-A	Bicyclic amine derivatives	19961126
US-6177442-B1	Bicyclic amine derivatives	19961126

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	155.094628657
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.094628657
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6