(3-Methoxybenzyl)boronic Acid Pinacol Ester - CAS 797762-23-3
Catalog: |
BB036409 |
Product Name: |
(3-Methoxybenzyl)boronic Acid Pinacol Ester |
CAS: |
797762-23-3 |
Synonyms: |
2-[(3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[(3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | (3-Methoxybenzyl)boronic Acid Pinacol Ester (CAS# 797762-23-3) is a useful research chemical. |
Molecular Weight: | 248.13 |
Molecular Formula: | C14H21O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC=C2)OC |
InChI: | InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-7-6-8-12(9-11)16-5/h6-9H,10H2,1-5H3 |
InChI Key: | PEWMYAHTUICUAM-UHFFFAOYSA-N |
Boiling Point: | 311 °C |
Density: | 1.01 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD10698524 |
LogP: | 3.13550 |
Publication Number | Title | Priority Date |
WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 20200331 |
CN-111511742-A | Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors | 20171220 |
US-2021009571-A1 | Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as pde1 inhibitors | 20171220 |
AU-2013333938-A1 | Pyrrolotriazinone derivatives as PI3K inhibitors | 20121016 |
EA-027277-B1 | Pyrrolotriazinone derivatives as pi3k inhibitors | 20121016 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1583747 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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