1-Boc-4-(bromomethylene)piperidine - CAS 1020329-80-9

Catalog:	BB000757
Product Name:	1-Boc-4-(bromomethylene)piperidine
CAS:	1020329-80-9
Synonyms:	4-(bromomethylidene)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(bromomethylidene)piperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(bromomethylidene)piperidine-1-carboxylate
Description:	1-Boc-4-(bromomethylene)piperidine (CAS# 1020329-80-9) is a useful research chemical.
Molecular Weight:	276.17
Molecular Formula:	C11H18BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=CBr)CC1
InChI:	InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h8H,4-7H2,1-3H3
InChI Key:	IYVCMYUDZHFNJM-UHFFFAOYSA-N
Boiling Point:	317.686 °C at 760 mmHg
Density:	1.39 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	3.23400

Publication Number	Title	Priority Date
WO-2021067569-A1	Substituted 1, 6-naphthyridine inhibitors of cdk5	20191001
CN-111825654-A	Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof	20190419
WO-2020211836-A1	Benzene piperidine derivative, preparation method therefor, intermediate thereof and use thereof	20190419
WO-2020106627-A1	C10-alkylene substituted 13-membered macrolides and uses thereof	20181119
EP-3883647-A1	C10-alkylene substituted 13-membered macrolides and uses thereof	20181119

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Related Functional Groups

Piperidines

[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride
[349624-53-9]
Ethyl 1-[(4-fluorophenyl)sulfonyl]piperidine-3-carboxylate

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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.05209
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.05209
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2