CAS Registry Number: 864754-17-6

Name:

1H-​Pyrazole, 1-​(1,​3-​dioxolan-​2-​ylmethyl)​-​4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-
1-​[(1,​3-​Dioxolan-​2-​yl)​methyl]​-​4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​1H-​pyrazole 

Chemical Formula: C13H21BN2O4
Exact Mass: 280.16
Molecular Weight: 280.13
m/z: 280.16 (100.0%), 279.16 (24.8%), 281.16 (15.0%), 280.17 (3.6%), 282.17 (1.0%)
Elemental Analysis: C, 55.74; H, 7.56; B, 3.86; N, 10.00; O, 22.85

InChI: InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3
InChIKey: IWEGDQUCWQFKHS-UHFFFAOYSA-N
Canonical SMILES : B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3OCCO3

Specification

98%

PCT Int. Appl. (2012), WO 2012161877 A1 20121129.                                 

PCT Int. Appl. (2011), WO 2011143459 A1 20111117.