3,4-Dihydro-2H-1,4-benzoxazine-6-boronic Acid Pinacol Ester - CAS 1155264-46-2

Name: 3,4-Dihydro-2H-1,4-benzoxazine-6-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003580
Product Name:	3,4-Dihydro-2H-1,4-benzoxazine-6-boronic Acid Pinacol Ester
CAS:	1155264-46-2
Synonyms:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

IUPAC Name:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
Description:	3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine acts as a reagent in the preparation of thieno[2,3-b]pyridine and thieno[3,2-b]pyridine derivatives that functions as HIV integrase inhibitor for treatment of HIV infection.
Molecular Weight:	261.12
Molecular Formula:	C14H20NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCCN3
InChI:	InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-6-12-11(9-10)16-7-8-17-12/h5-6,9,16H,7-8H2,1-4H3
InChI Key:	HFUHUNYUUCDCAU-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.92810

Publication Number	Title	Priority Date
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613
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

Complexity:	332
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.1536237
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	261.1536237
Rotatable Bond Count:	1
Topological Polar Surface Area:	39.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0