2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester - CAS 1899832-38-2

Name: 2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014686
Product Name:	2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester
CAS:	1899832-38-2
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one

Technical Data

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one
Description:	2-Oxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-5-boronic Acid Pinacol Ester (CAS# 1899832-38-2 ) is a useful research chemical.
Molecular Weight:	275.11
Molecular Formula:	C14H18NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C3COC(=O)NC3=CC=C2
InChI:	InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-5-7-11-9(10)8-18-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17)
InChI Key:	IVVRJOIDTXBEND-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2017533897-A	Heteroaryl compounds and their use as BTK inhibitors	20141006
US-10253023-B2	Heteroaryl compounds as BTK inhibitors and uses thereof	20141006
US-2016096834-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006
US-2019233417-A1	Heteroaryl compounds as btk inhibitors and uses thereof	20141006
JP-6856526-B2	Heteroaryl compounds as BTK inhibitors and their use	20141006

Complexity:	396
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.1328882
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.1328882
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0