1-Methylpyrazole-3-boronic Acid Pinacol Ester - CAS 1020174-04-2
Catalog: |
BB000749 |
Product Name: |
1-Methylpyrazole-3-boronic Acid Pinacol Ester |
CAS: |
1020174-04-2 |
Synonyms: |
1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Methylpyrazole-3-boronic Acid Pinacol Ester (CAS# 1020174-04-2) is patented as a reagent to synthesize quinoxaline derivatives or heterocyclylamine derivatives as PI3 kinase inhibitors. |
Molecular Weight: | 208.07 |
Molecular Formula: | C10H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C |
InChI: | InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h6-7H,1-5H3 |
InChI Key: | BJMSXWLXFYZHIU-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD04114000 |
LogP: | 0.71930 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021207186-A1 | Cd38 inhibitors | 20200407 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021159993-A1 | Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof | 20200214 |
CN-113248491-A | Substituted indole urea derivatives, synthesis method and application thereof | 20200211 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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