4-Benzyloxybenzoic acid - CAS 1486-51-7
Catalog: |
BB010331 |
Product Name: |
4-Benzyloxybenzoic acid |
CAS: |
1486-51-7 |
Synonyms: |
4-phenylmethoxybenzoic acid |
IUPAC Name: | 4-phenylmethoxybenzoic acid |
Description: | 4-Benzyloxybenzoic acid (CAS# 1486-51-7) is a chemical reagent in the preparation of anticancer leads such as quinolin-4-one derivatives. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16) |
InChI Key: | AQSCHALQLXXKKC-UHFFFAOYSA-N |
Boiling Point: | 396.3 °C at 760 mmHg |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.222 g/cm3 |
Appearance: | White solid, powder, crystals, and/or chunks |
MDL: | MFCD00016527 |
LogP: | 2.96380 |
GHS Hazard Statement: | H302 (82.98%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112047933-A | Quinazolinone USP7 inhibitor and preparation method and application thereof | 20201015 |
CN-111995567-A | Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof | 20200724 |
WO-2021175437-A1 | A new class of flavivirus protease inhibitors | 20200306 |
WO-2021177334-A1 | Novel fluoroalkane derivatives and gelling agents using same | 20200304 |
JP-2021088516-A | High-dielectric liquid crystal compounds and electrochemical devices using them | 20191203 |
PMID | Publication Date | Title | Journal |
20066222 | 20100121 | Synthesis and crystal structures of lanthanide 4-benzyloxy benzoates: influence of electron-withdrawing and electron-donating groups on luminescent properties | Dalton transactions (Cambridge, England : 2003) |
16119198 | 20050601 | Inhibition of monoamine oxidase-A activity in rat brain by synthetic hydrazines: structure-activity relationship (SAR) | Journal of enzyme inhibition and medicinal chemistry |
15080596 | 20031101 | Preliminary evaluation of anticonvulsant activity of some 4-(benzyloxy)-benzamides | Acta poloniae pharmaceutica |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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