2-Methoxycarbonylphenylboronic Acid Pinacol Ester - CAS 653589-95-8
Catalog: |
BB032709 |
Product Name: |
2-Methoxycarbonylphenylboronic Acid Pinacol Ester |
CAS: |
653589-95-8 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 2-Methoxycarbonylphenylboronic Acid Pinacol Ester (CAS# 653589-95-8) is a useful research chemical. |
Molecular Weight: | 262.11 |
Molecular Formula: | C14H19O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OC |
InChI: | InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3 |
InChI Key: | GWSGJWIUSIAFOP-UHFFFAOYSA-N |
Boiling Point: | 363.7 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
Appearance: | Solid |
LogP: | 1.77240 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210113802-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20200309 |
CN-111217847-A | Thiosilane ligand, preparation method thereof and application thereof in aryl boronization catalytic reaction | 20191121 |
CN-111217847-B | Thiosilane ligand, preparation method thereof and application thereof in aryl boronization catalytic reaction | 20191121 |
EP-3822268-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
WO-2021094436-A1 | Substituted hydantoinamides as adamts7 antagonists | 20191115 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1376392 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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