3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole - CAS 1314138-13-0

Catalog:	BB075690
Product Name:	3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CAS:	1314138-13-0
Synonyms:	3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole; 5,6-dihydro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-Pyrrolo[1,2-b]pyrazole

Technical Data

IUPAC Name:	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Description:	3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazole (cas# 1314138-13-0) is a useful reagent for preparation of pyrimidine derivatives for use as human PI3K-delta inhibitors.
Molecular Weight:	234.1
Molecular Formula:	C12H19BN2O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C3CCCN3N=C2
InChI:	InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-8-14-15-7-5-6-10(9)15/h8H,5-7H2,1-4H3
InChI Key:	LJCFTIMGDJYWHD-UHFFFAOYSA-N
References:	McGowan, M. A., et al. PCT Int. Appl. (2019), WO 2019125839 A1.

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.153958
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.153958
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0