1-Boc-3-methyl-4-piperidone - CAS 181269-69-2

Catalog:	BB013798
Product Name:	1-Boc-3-methyl-4-piperidone
CAS:	181269-69-2
Synonyms:	3-methyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate
Description:	1-Boc-3-methyl-4-piperidone (CAS# 181269-69-2) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC1CN(CCC1=O)C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H19NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key:	VWSBNWIPICCWAM-UHFFFAOYSA-N
Boiling Point:	298.8 °C at 760 mmHg
Density:	1.06 g/cm³
LogP:	1.77030

Publication Number	Title	Priority Date
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021133750-A1	Substituted bicyclic piperidine derivatives useful as t cell activators	20191223
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
WO-2021126725-A1	Novel substituted 1,3,8-triazaspiro[4,5]decane-2,4-dione compounds as indoleamine 2,3-dioxygenase (ido) and/or tryptophan 2,3-dioxygenase (tdo) inhibitors	20191217
KR-20190120112-A	Intermediates of chiral piperidine derivatives and preparation method thereof	20191008

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Related Functional Groups

Piperidones

[52763-21-0]
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
[3731-16-6]
Ethyl 2-oxo-3-piperidinecarboxylate
[1303968-37-7]
2,2-Dimethyl-4-piperidone Hydrochloride
[87922-74-5]
5-[4-(Trifluoromethyl)phenyl]-2-piperidone
[174184-13-5]
1-Cbz-3-bromo-4-oxopiperidine
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, 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:	1.1