1-Boc-2-(trifluoromethyl)-4-piperidinone - CAS 1245648-32-1

Catalog:	BB005909
Product Name:	1-Boc-2-(trifluoromethyl)-4-piperidinone
CAS:	1245648-32-1
Synonyms:	4-oxo-2-(trifluoromethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
Description:	1-Boc-2-(trifluoromethyl)-4-piperidinone (CAS# 1245648-32-1) is a useful research chemical.
Molecular Weight:	267.24
Molecular Formula:	C11H16F3NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)CC1C(F)(F)F
InChI:	InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-5-4-7(16)6-8(15)11(12,13)14/h8H,4-6H2,1-3H3
InChI Key:	RSFRBHIRISNXIK-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.45520

Publication Number	Title	Priority Date
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2021032323-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2020243135-A1	Fused heterocyclic derivatives	20190528
US-10562891-B2	Quinazolinones as PARP14 inhibitors	20171221
US-2019194174-A1	Quinazolinones as parp14 inhibitors	20171221

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Related Functional Groups

Piperidones

[1303968-37-7]
2,2-Dimethyl-4-piperidone Hydrochloride
[32161-06-1]
N-Acetyl-4-piperidone
[87922-74-5]
5-[4-(Trifluoromethyl)phenyl]-2-piperidone
[1215071-17-2]
N-Boc-3,3-difluoropiperidin-4-one
[188869-05-8]
N-Boc-3-bromo-4-oxopiperidine
[2353568-84-8]
(S)-1-benzyl-3-methylpiperidin-4-one

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	346
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.10822786
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	267.10822786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7