75-22-9 Purity
>95.0%(T)
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula is C10H17BN2O2.
The molecular weight is 208.07 g/mol.
The IUPAC name is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
The InChI is InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3.
The InChIKey is UCNGGGYMLHAMJG-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C.
The CAS number is 761446-44-0.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 3.
Yes, 1-Methyl-1H-pyrazole-4-boronic acid pinacol ester is canonicalized.
Reference: [1] Patent: WO2018/93569, 2018, A1, . Location in patent: Page/Page column 189
Reference: [1] Patent: WO2014/141187, 2014, A1, . Location in patent: Page/Page column 163
Reference: [1] Tetrahedron Letters, 2017, vol. 58, # 49, p. 4587 - 4590
[2] Patent: WO2016/11930, 2016, A1, . Location in patent: Page/Page column 138
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 4, p. 1370 - 1387
Reference: [1]Patent: WO2006/135978,2006,A1 .Location in patent: Page/Page column 26
Reference: [1]Patent: WO2008/51808,2008,A2 .Location in patent: Page/Page column 96
* For details of the synthesis route, please refer to the original source to ensure accuracy.