4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole (>80%) - CAS 1046831-98-4
Catalog: |
BB056833 |
Product Name: |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole (>80%) |
CAS: |
1046831-98-4 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole; 1-(trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)pyrazole; 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)pyrazole |
Description: | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)-1H-pyrazole is used in the synthesis of quinolines as Syk inhibitors for therapy. |
Molecular Weight: | 262.04 |
Molecular Formula: | C10H14BF3N2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(F)(F)F |
InChI: | InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)7-5-15-16(6-7)10(12,13)14/h5-6H,1-4H3 |
InChI Key: | XSEKRLJMLMNHNU-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Colorless Oil |
Storage: | -20°C Freezer, Under inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021009068-A1 | N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme | 20190712 |
US-2021355131-A1 | Factor XIa Inhibitors | 20181025 |
EA-024845-B1 | SUBSTITUTED QUINOLINES AND THEIR APPLICATION AS MEDICINES | 20110726 |
EP-2736886-A1 | Substituted quinolines and their use as medicaments | 20110726 |
EP-2736886-B1 | Substituted quinolines and their use as medicaments | 20110726 |
KR-20140043452-A | Substituted quinoline and its use as a medicament | 20110726 |
US-2013029949-A1 | Substituted Quinolines and Their Use As Medicaments | 20110726 |
US-2015065489-A1 | Substituted Quinolines and Their Use As Medicaments | 20110726 |
US-8912173-B2 | Substituted quinolines and their use as medicaments | 20110726 |
US-9199937-B2 | Substituted quinolines and their use as medicaments | 20110726 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1100423 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1100423 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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