2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester - CAS 1650548-32-5

Name: 2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012163
Product Name:	2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS:	1650548-32-5
Synonyms:	(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid; (2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)boronic acid

Technical Data

IUPAC Name:	2,2-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
Description:	2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester (CAS# 1650548-32-5 ) is a useful research chemical.
Molecular Weight:	303.16
Molecular Formula:	C16H22NO4B
Canonical SMILES:	B(C1=CC2=C(C=C1)OC(C(=O)N2)(C)C)(O)O
InChI:	InChI=1S/C10H12BNO4/c1-10(2)9(13)12-7-5-6(11(14)15)3-4-8(7)16-10/h3-5,14-15H,1-2H3,(H,12,13)
InChI Key:	YXCLOMVQWARTIR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-202003508-A	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
US-2019322655-A1	Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
US-10995086-B2	Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
US-2021317110-A1	Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same	20180321
AU-2014296184-A1	Syk inhibitors	20130731

Complexity:	461
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	303.1641883
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	303.1641883
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0