4-Bromomethylphenylboronic Acid Pinacol Ester - CAS 138500-85-3
Catalog: |
BB008773 |
Product Name: |
4-Bromomethylphenylboronic Acid Pinacol Ester |
CAS: |
138500-85-3 |
Synonyms: |
2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Bromomethylphenylboronic Acid Pinacol Ester (CAS# 138500-85-3) is used in the synthesis of metalloproteinase-13 inhibitors in the treatment of osteoarthritis. |
Molecular Weight: | 297.00 |
Molecular Formula: | C13H18BrO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr |
InChI: | InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3 |
InChI Key: | CBUOGMOTDGNEAW-UHFFFAOYSA-N |
Boiling Point: | 351.2 °C at 760 mmHg |
Melting Point: | 85-89 °C |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.26 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD02179493 |
LogP: | 2.88070 |
GHS Hazard Statement: | H314 (92.31%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264954-A | Fluorescent probe molecule for detecting hydrogen peroxide and preparation method thereof | 20210528 |
CN-112979686-A | Novel boron carrier, preparation method and pharmaceutical preparation thereof | 20210208 |
CN-112851935-A | Active oxygen triggered charge annihilation type super-charge cationic polymer transfection reagent and preparation and application thereof | 20210111 |
CN-112574739-A | Hydrogel sensor based on modified fluorescein derivative and preparation method thereof | 20201228 |
CN-112574243-A | Synthesis and application of hydrogen peroxide long-wavelength fluorescent probe with quick response | 20201221 |
PMID | Publication Date | Title | Journal |
21247121 | 20110110 | Microwave-mediated synthesis of an arylboronate library | ACS combinatorial science |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.05832 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.05832 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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