N-Boc-4-Nortropinone - CAS 185099-67-6

Catalog:	BB014187
Product Name:	N-Boc-4-Nortropinone
CAS:	185099-67-6
Synonyms:	3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester; tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Description:	A 8-azabicyclo[3.2.1]octane derivative useful as opioid receptor modulator.
Molecular Weight:	225.28
Molecular Formula:	C12H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1C2CCC1CC(=O)C2
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
InChI Key:	MENILFUADYEXNU-UHFFFAOYSA-N
Boiling Point:	325.8 °C at 760 mmHg
Density:	1.139 g/cm³
MDL:	MFCD00673779
LogP:	2.05530

Publication Number	Title	Priority Date
WO-2021071982-A1	Compounds for modulating splicing	20191008
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
WO-2020247298-A2	1-pyrazolyl, 5-, 6- disubstituted indazole derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20190606
WO-2020239103-A1	Btk inhibitor ring derivative, preparation method therefor and pharmaceutical application thereof	20190531

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GHS Hazard Statement:	H315 (97.87%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.13649347
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2