4-Methoxy-3-methylphenylboronic Acid - CAS 175883-62-2
Catalog: |
BB013178 |
Product Name: |
4-Methoxy-3-methylphenylboronic Acid |
CAS: |
175883-62-2 |
Synonyms: |
(4-methoxy-3-methylphenyl)boronic acid; (4-methoxy-3-methylphenyl)boronic acid |
IUPAC Name: | (4-methoxy-3-methylphenyl)boronic acid |
Description: | Reactant for: Preparation of hydroxyphenylnaphthols as 17β-hydroxysteroid dehydrogenase Type 2 inhibitors; Synthesis of bioactive combretastatin analogs via regioselective Suzuki coupling; Preparation of aromatic nitriles via copper-mediated cyanation; Rhodium-catalyzed allylic arylation of meso cyclopentene dicarbonates; Lewis acid-assisted asymmetric allylic substitution of butenediyl carbonates using rhodium catalyst. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)C)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3 |
InChI Key: | PXVDQGVAZBTFIB-UHFFFAOYSA-N |
Boiling Point: | 321.4 ℃ at 760 mmHg |
Melting Point: | 205-210 ℃ (lit.) |
Flash Point: | Not applicable |
Density: | 1.14 g/cm3 |
MDL: | MFCD02179464 |
LogP: | -0.31660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021178780-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20200306 |
WO-2021139775-A1 | Pyridone compound and application | 20200110 |
US-11008288-B1 | Methods for preparation of apremilast | 20191230 |
CN-111732584-A | Diaryl substituted fused heterocyclic compound, preparation method thereof and application thereof in pharmacy | 20190325 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
PMID | Publication Date | Title | Journal |
20809657 | 20101001 | Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates | The Journal of organic chemistry |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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