2-Methoxyacetophenone

Base Information

• Chemical Name: 2-Methoxyacetophenone
• CAS No.: 4079-52-1
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2914509090
• European Community (EC) Number: 223-802-4
• NSC Number: 227212,354
• UNII: Y4V7A57H8F
• DSSTox Substance ID: DTXSID90193778
• Nikkaji Number: J149.907F
• Wikidata: Q27123417
• Metabolomics Workbench ID: 58240
• Mol file: 4079-52-1.mol

Synonyms:2-Methoxyacetophenone;4079-52-1;2-methoxy-1-phenylethanone;alpha-Methoxyacetophenone;2-methoxy-1-phenylethan-1-one;Ethanone, 2-methoxy-1-phenyl-;methoxyacetophenone;Acetophenone, 2-methoxy-;2-methoxy-1-phenyl-ethanone;AI3-07623;Y4V7A57H8F;NSC-354;EINECS 223-802-4;NSC-227212;.omega.-Methoxyacetophenone;1-Methoxyacetophenone;NSC354;2-methoxy acetophenone;2-methoxy-acetophenone;Acetophenone, w-methoxy-;UNII-Y4V7A57H8F;SCHEMBL54072;2-Methoxyacetophenone, 95%;CHEBI:52400;DTXSID90193778;NSC 354;MFCD00008499;NSC227212;AKOS009158186;NSC 227212;AS-58946;CS-0138576;FT-0635116;EN300-95570;E81732;Q27123417;F0001-1153

Chemical Property of 2-Methoxyacetophenone

Chemical Property:

• Vapor Pressure: 0.0294mmHg at 25°C
• Melting Point: 7-8 °C(lit.)
• Refractive Index: n20/D 1.5365(lit.)
• Boiling Point: 237.9 °C at 760 mmHg
• Flash Point: 94.9 °C
• PSA: 26.30000
• Density: 1.044 g/cm³
• LogP: 1.51570
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methoxyacetophenone 95% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COCC(=O)C1=CC=CC=C1
• Uses: 2-Methoxy-1-phenylethan-1-one is used as a reactant in the preparation of diarylpyrazoles as cyclooxygenase 2 inhibitors.

Technology Process of 2-Methoxyacetophenone

There total 77 articles about 2-Methoxyacetophenone 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%

1-phenyl-1,1,2-trimethoxyethane (143191-51-9) → methoxymethyl phenyl ketone (4079-52-1)

Guidance literature:

With hydrogenchloride;

Reference yield: 92.0%

methanol (67-56-1) + acetophenone (98-86-2) → iodoacetophenone (4636-16-2) + methoxymethyl phenyl ketone (4079-52-1)

Guidance literature:

With ammonium iodide; Oxone; for 2.3h; Reflux;

DOI:10.1016/j.tetlet.2011.09.106

Reference yield: 87.0%

methanol (67-56-1) + 1-styrenyloxytrimethylsilane (13735-81-4) → methoxymethyl phenyl ketone (4079-52-1)

Guidance literature:

With Ph[I(OH)OTf] 18-crown-6 complex monohydrate; at -78 - 20 ℃; for 7h;

DOI:10.1002/anie.200461375

upstream raw materials:

methanol

trifluoroborane diethyl ether

2-diazo-acetophenone

2-methoxyacetonitrile

Downstream raw materials:

3-hydroxy-3-(2-hydroxy-phenyl)-2-methoxy-1-phenyl-propan-1-one

2-hydroxy-α-methoxy-trans-chalcone

3-methoxy-2-phenyl-chromenylium; chloride

4-Dimethylhydrazono-2-methoxyphenyl-2-buten-1-on

Refernces

• 1、 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.
• 2、 Asano, Yuya,Nagasawa, Yoshitomo,Yamaguchi, Eiji,Itoh, Akichika. "Aerobic Photooxidative Synthesis of β-Alkoxy Monohydroperoxides Using an Organo Photoredox Catalyst Controlled by a Base". supporting information. p. 409 - 412. Retrieved 2018/02/21.