3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole - CAS 937366-55-7

Catalog:	BB056965
Product Name:	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CAS:	937366-55-7
Synonyms:	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole; 1H-Indazole-3-boronic acid pinacol ester; indazole boronic acid pinacol ester

Technical Data

IUPAC Name:	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Description:	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is a useful reagent for the preparation of 2- amino- 4- aryl- 5- chloropyrimidine analogues as inhibitors of VEGFR- 2 and cyclin dependent kinase 1 (CDK1).
Molecular Weight:	244.1
Molecular Formula:	C13H17BN2O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=NN2
InChI:	InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)11-9-7-5-6-8-10(9)15-16-11/h5-8H,1-4H3,(H,15,16)
InChI Key:	UWAAHKNOJPKHNF-UHFFFAOYSA-N
References:	Huang, S., et al. Bioorganic Med. Chem. Lett., 17, 2179 (2007).

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.138308
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.138308
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0