1-(1-Boc-3-azetidinyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 877399-35-4

Name: 1-(1-Boc-3-azetidinyl)pyrazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038617
Product Name:	1-(1-Boc-3-azetidinyl)pyrazole-4-boronic Acid Pinacol Ester
CAS:	877399-35-4
Synonyms:	3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidine-1-carboxylate
Description:	1-(1-Boc-3-azetidinyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 877399-35-4 ) is a useful research chemical.
Molecular Weight:	349.23
Molecular Formula:	C17H28N3O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CN(C3)C(=O)OC(C)(C)C
InChI:	InChI=1S/C17H28BN3O4/c1-15(2,3)23-14(22)20-10-13(11-20)21-9-12(8-19-21)18-24-16(4,5)17(6,7)25-18/h8-9,13H,10-11H2,1-7H3
InChI Key:	JGJAAWHJOWNRBD-UHFFFAOYSA-N
LogP:	1.91200

Publication Number	Title	Priority Date
CN-113278023-B	Nitrogen-containing heterocyclic compound and preparation method and application thereof	20210722
US-2021115053-A1	Bicyclic heterocycles as fgfr inhibitors	20191016
WO-2021076728-A1	Bicyclic heterocycles as fgfr inhibitors	20191016
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014

Complexity:	513
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	349.2172865
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	349.2172865
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0