3-Methylpyrazole-4-boronic Acid Pinacol Ester - CAS 936250-20-3
Catalog: |
BB040996 |
Product Name: |
3-Methylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
936250-20-3 |
Synonyms: |
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
IUPAC Name: | 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
Description: | 3-Methylpyrazole-4-boronic Acid Pinacol Ester (CAS# 936250-20-3) is a useful research chemical. |
Molecular Weight: | 208.07 |
Molecular Formula: | C10H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C |
InChI: | InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13) |
InChI Key: | MSJAEFFWTBMIKT-UHFFFAOYSA-N |
Boiling Point: | 350.3 °C at 760 mmHg |
Melting Point: | 129-134 °C |
Purity: | 95 % |
Density: | 1.07 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD08690235 |
LogP: | 1.01730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021149692-A1 | Novel antimalarial agent containing heterocyclic compound | 20200121 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
WO-2021113492-A1 | Cyclic compounds and methods of using same | 20191206 |
CN-112851668-A | ATR inhibitor and application thereof in medicine | 20191127 |
US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 20191011 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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