1-Boc-2-methyl-4-piperidinone - CAS 190906-92-4

Catalog:	BB014760
Product Name:	1-Boc-2-methyl-4-piperidinone
CAS:	190906-92-4
Synonyms:	2-methyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate
Description:	1-Boc-2-methyl-4-piperidinone (CAS# 190906-92-4) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC1CC(=O)CCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H19NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key:	HQMYWQCBINPHBB-UHFFFAOYSA-N
Boiling Point:	298.8 °C at 760 mmHg
Density:	1.06 g/cm³
MDL:	MFCD04035608
LogP:	1.91280

Publication Number	Title	Priority Date
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
WO-2021089683-A1	Inhibitors of adrenoreceptor adrac2	20191106
CN-110862376-A	Small molecule compound	20191024
WO-2021078021-A1	Small molecular compound	20191024
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005

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Related Functional Groups

Piperidones

[1267039-62-2]
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[174184-13-5]
1-Cbz-3-bromo-4-oxopiperidine
[396731-40-1]
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[881386-01-2]
3,3-Dichloro-1-(4-nitrophenyl)-2-piperidinone
[87922-76-7]
5-(3-Chlorophenyl)-2-piperidone
[139524-56-4]
6,6-Dimethylpiperidin-2-one

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1