Methyl 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazole-5-carboxylate - CAS 929899-20-7

Catalog:	BB056593
Product Name:	Methyl 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazole-5-carboxylate
CAS:	929899-20-7
Synonyms:	METHYL 1-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE; methyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate

Technical Data

IUPAC Name:	methyl 2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate
Description:	Methyl 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazole-5-carboxylate can be used to prepare as PkB inhibitors.
Molecular Weight:	266.1
Molecular Formula:	C12H19BN2O4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=NN(C(=C2)C(=O)OC)C
InChI:	InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)9-7-8(10(16)17-6)15(5)14-9/h7H,1-6H3
InChI Key:	WCOQTWMJQDTQJX-UHFFFAOYSA-N
Melting Point:	87 - 88°C
Solubility:	Chloroform (Sparingly, Heated, Sonicated), DMSO (Slightly, Heated, Sonicated), M
Appearance:	Off-White to Pale Grey Solid
Storage:	-20°C, Inert atmosphere
References:	Ma, C., et.al. Faming Zhuanli Shenqing, 51, (2021).

Complexity:	359
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.1437873
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.1437873
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0