1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone
• CAS No.: 1835-11-6
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• Hs Code.: 2914509090
• European Community (EC) Number: 683-455-3
• NSC Number: 201234
• UNII: WNL24ZK4PM
• DSSTox Substance ID: DTXSID20171428
• Nikkaji Number: J90.716B
• Wikidata: Q72442378
• ChEMBL ID: CHEMBL3278087
• Mol file: 1835-11-6.mol

Synonyms:1835-11-6;1-(4-(benzyloxy)-3-methoxyphenyl)ethanone;4'-Benzyloxy-3'-methoxyacetophenone;4-Benzyloxy-3-methoxyacetophenone;1-(3-methoxy-4-phenylmethoxyphenyl)ethanone;Acetophenone, 4'-(benzyloxy)-3'-methoxy-;1-(3-Methoxy-4-(phenylmethoxy)phenyl)ethanone;1-(4-Benzyloxy-3-methoxyphenyl)ethanone;Ethanone, 1-(3-methoxy-4-(phenylmethoxy)phenyl)-;1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone;NSC 201234;Ethanone, 1-[3-methoxy-4-(phenylmethoxy)phenyl]-;BRN 1885776;1-[4-(benzyloxy)-3-methoxyphenyl]ethan-1-one;NSC-201234;4-08-00-01817 (Beilstein Handbook Reference);NSC201234;WNL24ZK4PM;SCHEMBL340620;CHEMBL3278087;DTXSID20171428;MFCD00017326;STK785189;4-Bromo-2,5-dimethylphenylboronicacid;AKOS000181559;AB01237;CS-W012563;GS-4500;1-(4-Benzyloxy-3-methoxy-phenyl)-ethanone;FT-0617654;1-[4-(benzyloxy)-3-methoxyphenyl]-1-ethanone;1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone #;A812788;J-503201;1-(4-benzyloxy-3-methoxy-phenyl)ethanone;1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone

Chemical Property of 1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone

Chemical Property:

• Melting Point: 85-87°C
• Boiling Point: 396.5 °C at 760 mmHg
• Flash Point: 185.2 °C
• PSA: 35.53000
• Density: 1.115g/cm³
• LogP: 3.47680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Slightly), Dichloromethane (Slightly), DMSO (Slightly, Heated)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 284

Purity/Quality:

98%, ^*data from raw suppliers

1-(4-Benzyloxy-3-methoxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
• Uses: Intermediate in the preparation of Epinephrine metabolites

Technology Process of 1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone

There total 19 articles about 1-(4-(Benzyloxy)-3-methoxyphenyl)ethanone 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 chloride (100-44-7) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 4-benzyloxy-3-methoxyacetophenone (1835-11-6)

Guidance literature:

With potassium phosphate; tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 20 ℃; for 30h; Inert atmosphere;

DOI:10.1002/ejoc.201800338

Reference yield: 99.0%

benzyl bromide (100-39-0) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 4-benzyloxy-3-methoxyacetophenone (1835-11-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1021/acs.jafc.7b00130

Reference yield: 94.0%

dimethyl sulfate (77-78-1) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) → 4-benzyloxy-3-methoxyacetophenone (1835-11-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 6h;

DOI:10.1016/j.ejmech.2011.12.008

upstream raw materials:

diazomethane

3'-hydroxy4'-benzyloxyacetophenone

benzyl chloride

1-(3-methoxy-4-hydroxyphenyl)ethanone

Downstream raw materials:

Apocynol

3-methoxy-4-benzyloxy-α-bromoacetophenone

4-sec-Butyl-2-methoxy-phenol

methyl 4-benzyloxy-3-methoxyphenylethanoate

Refernces

• 1、 Zhang, Jifa,Jiang, Yuan,Easterling, Leah F.,Anstner, Anton,Li, Wanru,Alzarieni, Kawthar Z.,Dong, Xueming,Bozell, Joseph,Kentt?maa, Hilkka I.. "Compositional analysis of organosolv poplar lignin by using high-performance liquid chromatography/high-resolution multi-stage tandem mass spectrometry". . p. 983 - 1000. Retrieved 2021.
• 2、 Yang, Tao,Zang, Da-Wei,Shan, Wei,Guo, An-Chen,Wu, Jian-Ping,Wang, Yong-Jun,Wang, Qun. "Synthesis and evaluations of novel apocynin derivatives as anti-glioma agents". . . Retrieved 2019.
• 3、 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.