4'-Benzyloxyacetophenone

Base Information

• Chemical Name: 4'-Benzyloxyacetophenone
• CAS No.: 54696-05-8
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 29145090
• European Community (EC) Number: 640-261-3
• NSC Number: 56945
• DSSTox Substance ID: DTXSID80288622
• Nikkaji Number: J32.011K
• Wikidata: Q72441724
• Pharos Ligand ID: HXXBBC9Z1WDA
• ChEMBL ID: CHEMBL3278090
• Mol file: 54696-05-8.mol

Synonyms:4'-Benzyloxyacetophenone;54696-05-8;4-Benzyloxyacetophenone;1-(4-(benzyloxy)phenyl)ethanone;Ethanone, 1-[4-(phenylmethoxy)phenyl]-;1-[4-(Benzyloxy)phenyl]ethanone;4'-(Benzyloxy) acetophenone;4'-(Benzyloxy)-acetophenone;1-(4-benzyloxyphenyl)ethanone;1-[4-(benzyloxy)phenyl]ethan-1-one;1-(4-phenylmethoxyphenyl)ethanone;4'-(Benzyloxy)acetophenone;MFCD00017247;1-(4-(benzyloxy)phenyl)ethan-1-one;NSC56945;4/'-Benzyloxyacetophenone;4\'-Benzyloxyacetophenone;4'-Benzyloxy Acetophenone;1-[4-(PHENYLMETHOXY)PHENYL]-ETHANONE;SCHEMBL42302;1-(4-benzyloxy-phenyl)ethanone;CHEMBL3278090;1-(4-benzyloxy-phenyl) ethanone;1-(4-benzyloxy-phenyl)-ethanone;DTXSID80288622;1-[4-(benzyloxy) phenyl]ethanone;STR06633;1-(4-(benzyloxy)-phenyl)-ethanone;1-[4-(Benzyloxy)phenyl]ethanone #;NSC 56945;NSC-56945;STK728880;1-[4-(benzyloxy)phenyl]-1-ethanone;AKOS000203232;AM81188;NCGC00323603-01;AC-14435;SY016940;B3365;CS-0007653;FT-0617657;EN300-15515;AB01319170-02;4 inverted exclamation mark -Benzyloxyacetophenone;A830325;AE-641/00776036;SR-01000044857;2-PHENYL-QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE;SR-01000044857-1;Z26338010

Chemical Property of 4'-Benzyloxyacetophenone

Chemical Property:

• Appearance/Colour: white to cream crystalline powder
• Vapor Pressure: 6.21E-06mmHg at 25°C
• Melting Point: 91-94 °C
• Refractive Index: 1.569
• Boiling Point: 378.6 °C at 760 mmHg
• Flash Point: 172.3 °C
• PSA: 26.30000
• Density: 1.1 g/cm³
• LogP: 3.46820
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: soluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

4-Benzyloxyacetophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Technology Process of 4'-Benzyloxyacetophenone

There total 34 articles about 4'-Benzyloxyacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

benzyl bromide (100-39-0) + 4-Hydroxyacetophenone (99-93-4) → 4'-benzyloxy-acetophenone (54696-05-8)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 20 ℃; for 17h;

DOI:10.1021/jo034255h

Reference yield: 100.0%

C18H20OS2 (135655-92-4) → 4'-benzyloxy-acetophenone (54696-05-8)

Guidance literature:

With dihydrogen peroxide; iodine; sodium dodecyl-sulfate; In water; at 20 ℃; for 0.416667h; Micellar solution;

DOI:10.1055/s-0028-1088023

Reference yield: 98.38%

benzyl chloride (100-44-7) + 4-Hydroxyacetophenone (99-93-4) → 4'-benzyloxy-acetophenone (54696-05-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

upstream raw materials:

benzyl chloride

4-Hydroxyacetophenone

benzyl bromide

3-(4-(benzyloxy)phenyl)-3-oxopropanoic acid

Downstream raw materials:

ethyl 3-[4-(benzyloxy)phenyl]-3-oxopropanoate

1-(4-benzyloxyphenyl)-3-phenyl-1,3-propanedione

1-(4-benzyloxy-3-iodophenyl)ethanone

(E)-3-Benzo[1,3]dioxol-5-yl-1-(4-benzyloxy-phenyl)-propenone

Refernces

• 1、 Gürses, Tu?ba,Ol?a?, Abdurrahman,Garscha, Ulrike,Gür Maz, Tu??e,Bal, Nur Banu,Uluda?, Orhan,?al??kan, Burcu,Schubert, Ulrich S.,Werz, Oliver,Banoglu, Erden. "Simple heteroaryl modifications in the 4,5-diarylisoxazol-3-carboxylic acid scaffold favorably modulates the activity as dual mPGES-1/5-LO inhibitors with in vivo efficacy". . . Retrieved 2021.
• 2、 Nagasawa, Shota,Fujiki, Shogo,Sasano, Yusuke,Iwabuchi, Yoshiharu. "Chromium-Salen Complex/Nitroxyl Radical Cooperative Catalysis: A Combination for Aerobic Intramolecular Dearomative Coupling of Phenols". . p. 6952 - 6968. Retrieved 2021/05/29.