1-(4-Tetrahydropyranyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 1040377-03-4
Catalog: |
BB001308 |
Product Name: |
1-(4-Tetrahydropyranyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1040377-03-4 |
Synonyms: |
1-(4-oxanyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-(4-Tetrahydropyranyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 1040377-03-4) is a useful research chemical. |
Molecular Weight: | 278.16 |
Molecular Formula: | C14H23N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCOCC3 |
InChI: | InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-5-7-18-8-6-12/h9-10,12H,5-8H2,1-4H3 |
InChI Key: | BOOVIFJKQGYEON-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD12033229 |
LogP: | 1.53380 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113201142-A | Hydrogen bond organic grid material based on aromatic tetrapyrazole and preparation method and application thereof | 20210427 |
CN-113248437-A | Tetraphenyl vinyl poly-pyrazole nitrogen-containing heterocyclic compound and preparation method and application thereof | 20210425 |
CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 20200805 |
WO-2021129621-A1 | Pyrazole compounds | 20191223 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
Complexity: | 342 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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