4-(Benzyloxy)phenylboronic Acid - CAS 146631-00-7
Catalog: |
BB010106 |
Product Name: |
4-(Benzyloxy)phenylboronic Acid |
CAS: |
146631-00-7 |
Synonyms: |
(4-phenylmethoxyphenyl)boronic acid; (4-phenylmethoxyphenyl)boronic acid |
IUPAC Name: | (4-phenylmethoxyphenyl)boronic acid |
Description: | 4-(Benzyloxy)phenylboronic Acid (CAS# 146631-00-7) is a reagent in the synthesis of arylalkenylpropargylamines as neuroprotective and potent selective monoamine oxidase B inhibitors. Also used to prepare pyridone alkaloids used as antiproliferative agents. |
Molecular Weight: | 228.05 |
Molecular Formula: | C13H13O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)OCC2=CC=CC=C2)(O)O |
InChI: | InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2 |
InChI Key: | DMJHEIDWSIAXCS-UHFFFAOYSA-N |
Boiling Point: | 418.9 °C at 760 mmHg |
Melting Point: | 193-199 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.2 g/cm3 |
MDL: | MFCD01075705 |
LogP: | 0.94540 |
GHS Hazard Statement: | H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112898133-A | Preparation method of trans-ketone intermediate | 20210127 |
CN-112661681-A | Polymerizable compound | 20200803 |
CN-113354651-A | Pyrazolo [1,5-a ] quinazoline derivative and application thereof in preparation of medicines | 20200730 |
CN-111518058-A | Oxathiazine compound and application thereof | 20200529 |
CN-111518058-B | Oxathiazine compound and application thereof | 20200529 |
PMID | Publication Date | Title | Journal |
20669927 | 20101111 | Medicinal chemistry as a conduit for the modulation of quorum sensing | Journal of medicinal chemistry |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0957744 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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