N-Boc-3-bromo-4-oxopiperidine - CAS 188869-05-8

Catalog:	BB014563
Product Name:	N-Boc-3-bromo-4-oxopiperidine
CAS:	188869-05-8
Synonyms:	3-bromo-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate
Description:	N-Boc-3-bromo-4-oxopiperidine (CAS# 188869-05-8) is a useful research chemical.
Molecular Weight:	278.14
Molecular Formula:	C10H16BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C(C1)Br
InChI:	InChI=1S/C10H16BrNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3
InChI Key:	RGWGRRBHQUREDE-UHFFFAOYSA-N
Boiling Point:	333.3 °C at 760 mmHg
Density:	1.422 g/cm³
MDL:	MFCD06738530
LogP:	1.89770

Publication Number	Title	Priority Date
CN-112250616-A	Preparation method of 4-oxo-3, 4-dihydropyridine-1 (2H) -carboxylic acid tert-butyl ester	20201026
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118
WO-2020106751-A1	Inhinitors of gli1 as therapeutic agents	20181119
WO-2020106755-A1	Inhibitors of gli1 as therapeutic agents	20181119
CN-113316577-A	GLi1 inhibitors as therapeutic agents	20181119

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Related Functional Groups

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GHS Hazard Statement:	H302+H312+H332 (66.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.03136
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.03136
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5