Tetrahydropyran-4-boronic Acid Pinacol Ester - CAS 1131912-76-9
Catalog: |
BB003137 |
Product Name: |
Tetrahydropyran-4-boronic Acid Pinacol Ester |
CAS: |
1131912-76-9 |
Synonyms: |
4,4,5,5-tetramethyl-2-(4-oxanyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane |
Description: | Tetrahydropyran-4-boronic Acid Pinacol Ester (CAS# 1131912-76-9) is a useful research chemical. |
Molecular Weight: | 212.09 |
Molecular Formula: | C11H21O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2CCOCC2 |
InChI: | InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9H,5-8H2,1-4H3 |
InChI Key: | NLSMOSUUBUCSPL-UHFFFAOYSA-N |
Flash Point: | Not applicable |
Appearance: | Liquid |
Storage: | 2-8 °C |
MDL: | MFCD11506065 |
LogP: | 2.25920 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018153365-A1 | Substituted fused heteroaryl tricyclic compound as kinase inhibitor and application thereof | 20170227 |
US-2021128535-A1 | Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof | 20170227 |
US-2020339522-A1 | Phenoxymethyl derivatives | 20150904 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.1583747 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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