1-Boc-3-(2-bromoacetyl)piperidine - CAS 1219813-78-1

Name: 1-Boc-3-(2-bromoacetyl)piperidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005314
Product Name:	1-Boc-3-(2-bromoacetyl)piperidine
CAS:	1219813-78-1
Synonyms:	3-(2-bromo-1-oxoethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-bromoacetyl)piperidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 3-(2-bromoacetyl)piperidine-1-carboxylate
Description:	1-Boc-3-(2-bromoacetyl)piperidine (CAS# 1219813-78-1) is used as a reactant in the synthesis of oxazolobenzimidazole derivatives and analogs as potentiators of metabotropic glutamate receptors.
Molecular Weight:	306.20
Molecular Formula:	C12H20BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CBr
InChI:	InChI=1S/C12H20BrNO3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9H,4-8H2,1-3H3
InChI Key:	FTDGLGFKVKVHTE-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.53540

Publication Number	Title	Priority Date
EP-3628672-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064175-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
US-2011178117-A1	Oxazolobenzimidazole derivatives	20080926
WO-2010036544-A1	Oxazolobenzimidazole derivatives	20080926

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.06266
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.06266
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1