1-(2-Tetrahydropyranyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 1003846-21-6
Catalog: |
BB000211 |
Product Name: |
1-(2-Tetrahydropyranyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1003846-21-6 |
Synonyms: |
1-(2-oxanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-(2-Tetrahydropyranyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 1003846-21-6) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 278.16 |
Molecular Formula: | C14H23N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCCCO3 |
InChI: | InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12/h9-10,12H,5-8H2,1-4H3 |
InChI Key: | YYSLAWXDXHVRHU-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD16556148 |
LogP: | 1.88140 |
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-2021190727-A1 | Compounds and their use in the treatment of bacterial infection | 20200324 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
WO-2021145401-A1 | Spiroheterocyclic derivatives as crhr2 antagonist | 20200115 |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
WO-2021081375-A1 | Inhibitors of raf kinases | 20191024 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.1801728 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.1801728 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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