p-Tolylboronic Acid Pinacol Ester - CAS 195062-57-8
Catalog: |
BB015103 |
Product Name: |
p-Tolylboronic Acid Pinacol Ester |
CAS: |
195062-57-8 |
Synonyms: |
4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane |
Description: | p-Tolylboronic Acid Pinacol Ester (CAS# 195062-57-8) is used in the synthesis of antimicrobial compounds, showing gram-negatice activity. Also used in the synthesis of component chemicals to thin-film transistors. |
Molecular Weight: | 218.10 |
Molecular Formula: | C13H19O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3 |
InChI Key: | GKSSEDDAXXEPCP-UHFFFAOYSA-N |
Boiling Point: | 298.2 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 0.98 g/cm3 |
MDL: | MFCD03453662 |
LogP: | 2.29420 |
GHS Hazard Statement: | H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, 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 |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
CN-110627823-A | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
CN-110627823-B | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 20191017 |
CN-109824520-A | A kind of preparation method of cis- -4- methyl ring amine | 20190314 |
CN-109824520-B | Preparation method of cis-4-methylcyclohexylamine | 20190314 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.1478100 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.1478100 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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