1,2-Benzisoxazole-5-boronic Acid Pinacol Ester - CAS 837392-66-2

Catalog:	BB037086
Product Name:	1,2-Benzisoxazole-5-boronic Acid Pinacol Ester
CAS:	837392-66-2
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole
Description:	1,2-Benzisoxazole-5-boronic Acid Pinacol Ester (CAS# 837392-66-2) is a useful research chemical.
Molecular Weight:	245.08
Molecular Formula:	C13H16NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)ON=C3
InChI:	InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11/h5-8H,1-4H3
InChI Key:	ODSQMJSTZMKVEO-UHFFFAOYSA-N
LogP:	2.12700

Publication Number	Title	Priority Date
JP-2009185008-A	Compound having glycine transporter inhibitory activity	20080208
AU-2004259765-B2	Thienopyridine and furopyridine kinase inhibitors	20030724
AU-2009251083-A1	Thienopyridine and furopyridine kinase inhibitors	20030724
AU-2009251083-B2	Thienopyridine and furopyridine kinase inhibitors	20030724
CA-2532982-A1	Thienopyridine and furopyridine kinase inhibitors	20030724

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate

Complexity:	318
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.1223235
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.1223235
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0