1,3-Dimethylpyrazole-4-boronic Acid Pinacol Ester - CAS 1046832-21-6
Catalog: |
BB001459 |
Product Name: |
1,3-Dimethylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1046832-21-6 |
Synonyms: |
1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1,3-Dimethylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1046832-21-6) is a useful research chemical. |
Molecular Weight: | 222.09 |
Molecular Formula: | C11H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C)C |
InChI: | InChI=1S/C11H19BN2O2/c1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3 |
InChI Key: | FBNAMBTYMSWTIB-UHFFFAOYSA-N |
Melting Point: | 70-76 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Appearance: | White to light beige powder or crystals or chunks |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD09864190 |
LogP: | 1.02770 |
GHS Hazard Statement: | H302 (92.86%): 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-2021160109-A1 | Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof | 20200213 |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1539580 |
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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