2-(4-Methoxyphenyl)-2-oxoethyl acetate

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-2-oxoethyl acetate
• CAS No.: 58518-78-8
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• Hs Code.: 2915390090
• NSC Number: 67350
• DSSTox Substance ID: DTXSID90290211
• Nikkaji Number: J1.149.480C
• Wikidata: Q82027826
• Mol file: 58518-78-8.mol

Synonyms:2-(4-methoxyphenyl)-2-oxoethyl acetate;58518-78-8;[2-(4-methoxyphenyl)-2-oxoethyl] acetate;Ethanone, 2-(acetyloxy)-1-(4-methoxyphenyl)-;NSC67350;p-Methoxyphenacyl acetate;NCIOpen2_003160;SCHEMBL3042221;DTXSID90290211;CZNYQWIMWIBATO-UHFFFAOYSA-N;alpha-acetoxy-p-methoxyacetophenone;MFCD00540316;NSC-67350;AKOS005071883;BB-0701;CS-0319796;FT-0680841;SR-01000195069;J-506040;SR-01000195069-1

Chemical Property of 2-(4-Methoxyphenyl)-2-oxoethyl acetate

Chemical Property:

• Vapor Pressure: 0.000176mmHg at 25°C
• Melting Point: 63-65°
• Boiling Point: 329.5°Cat760mmHg
• Flash Point: 145.5°C
• PSA: 52.60000
• Density: 1.147g/cm³
• LogP: 1.44100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methoxyphenyl)-2-oxoethylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1=CC=C(C=C1)OC

Technology Process of 2-(4-Methoxyphenyl)-2-oxoethyl acetate

There total 31 articles about 2-(4-Methoxyphenyl)-2-oxoethyl acetate 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: 98.0%

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 1-(4-methoxyphenyl)ethanone (100-06-1) → p-methoxyphenacyl acetate (58518-78-8)

Guidance literature:

N,N-dimethyl acetamide; 1-(4-methoxyphenyl)ethanone; With trifluorormethanesulfonic acid; thallium(III) acetate; at 60 ℃; for 0.333333h;

With water; for 0.166667h; Further stages.;

DOI:10.1039/b102192n

Reference yield: 96.0%

2-hydroxy-2-(4-methoxyphenyl)ethyl acetate (131029-14-6) → p-methoxyphenacyl acetate (58518-78-8)

Guidance literature:

With N-hydroxyphthalimide; oxygen; 4,4′-bis(diphenylamino)benzophenone; In acetone; at 20 ℃; for 36h; under 760.051 Torr; Irradiation;

DOI:10.1021/acs.joc.6b01704

Reference yield: 96.0%

potassium acetate (127-08-2) + 2-chloro-1-(4-methoxyphenyl)ethanone (2196-99-8) → p-methoxyphenacyl acetate (58518-78-8)

Guidance literature:

With [bmim]Br; at 20 ℃; for 0.666667h;

DOI:10.1016/j.tetlet.2004.10.015

upstream raw materials:

2-chloro-4-methoxyacetophenone

potassium acetate

2-diazo-1-(4-methoxyphenyl)ethanone

acetic acid

Downstream raw materials:

4-(4-methoxyphenyl)furan-2(5H)-one

4-Hydroxy-4-(4-methoxy-phenyl)-dihydro-furan-2-one

methyl (tetrahydro-3--5-oxo-2-furan)acetate

(E)-3-(4-Methoxy-phenyl)-hex-3-enedioic acid dimethyl ester

Refernces

• 1、 Elejalde-Cadena, Nerith Rocio,García-Olave, Mayra,Figueroa, David,Vidossich, Pietro,Miscione, Gian Pietro,Portilla, Jaime. "Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N-Aroylmethyl-4-Arylimidazoles". . . Retrieved 2022/02/19.
• 2、 Gao, Kecheng,Xu, Man,Cai, Cheng,Ding, Yanghao,Chen, Jianhui,Liu, Bosheng,Xia, Yuanzhi. "Cobalt-Catalyzed Reductive C-O Bond Cleavage of Lignin β-O-4 Ketone Models via in Situ Generation of the Cobalt-Boryl Species". supporting information. p. 6055 - 6060. Retrieved 2020/08/12.