1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine - CAS 1357614-50-6

Catalog:	BB008246
Product Name:	1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine
CAS:	1357614-50-6
Synonyms:	3-(4-bromophenyl)-3-hydroxy-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate
Description:	1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine (CAS# 1357614-50-6 ) is a useful research chemical.
Molecular Weight:	328.20
Molecular Formula:	C14H18BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)O
InChI:	InChI=1S/C14H18BrNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3
InChI Key:	XRLOWKAACZKDBK-UHFFFAOYSA-N
LogP:	2.82530

Publication Number	Title	Priority Date
WO-2020228823-A1	Novel amide compounds and uses thereof	20190516
CN-112047877-A	Novel amide compound and use thereof	20190516
US-2019308938-A1	Heterocyclic Compounds for the Treatment of Arenavirus	20160712
EP-3096754-A1	Metallo-beta-lactamase inhibitors	20140122
EP-3096754-B1	Metallo-beta-lactamase inhibitors	20140122

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	327.04701
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	327.04701
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2