Ethanone, 1-(2,4,5-trimethoxyphenyl)-

Base Information

• Chemical Name: Ethanone, 1-(2,4,5-trimethoxyphenyl)-
• CAS No.: 1818-28-6
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2914509090
• European Community (EC) Number: 217-333-4
• NSC Number: 401454
• UNII: I8G31M1PRD
• DSSTox Substance ID: DTXSID6061995
• Nikkaji Number: J199.636C
• Wikidata: Q63408575
• ChEMBL ID: CHEMBL4170502
• Mol file: 1818-28-6.mol

Synonyms:1818-28-6;2',4',5'-Trimethoxyacetophenone;Ethanone, 1-(2,4,5-trimethoxyphenyl)-;1-(2,4,5-Trimethoxyphenyl)ethanone;2,4,5-Trimethoxyacetophenone;1-(2,4,5-Trimethoxyphenyl)ethan-1-one;2,5-Trimethoxyacetophenone;Acetophenone, 2',4',5'-trimethoxy-;I8G31M1PRD;EINECS 217-333-4;NSC 401454;NSC-401454;NSC401454;Ethanone,1-(2,4,5-trimethoxyphenyl)-;UNII-I8G31M1PRD;SCHEMBL7457674;CHEMBL4170502;DTXSID6061995;1-(2,5-Trimethoxyphenyl)ethanone;AKOS017346376;1-(2,4,5-trimethoxy-phenyl)-ethanone;2',4',5'-Trimethoxyacetophenone, 97%;CS-0274868;FT-0609817;EN300-1858407;Q63408575

Chemical Property of Ethanone, 1-(2,4,5-trimethoxyphenyl)-

Chemical Property:

• Melting Point: 98-102°C
• Boiling Point: 328.3 ºC at 760 mmHg
• Flash Point: 144.4 ºC
• PSA: 44.76000
• Density: 1.089 g/cm³
• LogP: 1.91500
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

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

2′,4′,5′-Trimethoxyacetophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1OC)OC)OC

Technology Process of Ethanone, 1-(2,4,5-trimethoxyphenyl)-

There total 18 articles about Ethanone, 1-(2,4,5-trimethoxyphenyl)- 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: 91.0%

asaronic acid (490-64-2) + acetonitrile (75-05-8,26809-02-9) → 2',4',5'-trimethoxyacetophenone (1818-28-6)

Guidance literature:

asaronic acid; acetonitrile; With palladium(II) trifluoroacetate; 6-methyl-2,2'-bipyridine; In water; at 130 ℃; for 1h; Microwave irradiation;

With formic acid; In water; at 100 ℃; for 1h;

DOI:10.1002/anie.201003009

Reference yield: 89.0%

1,2,4-trimethoxy-benzene (135-77-3) + acetyl chloride (75-36-5) → 2',4',5'-trimethoxyacetophenone (1818-28-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 10 ℃; for 1h;

DOI:10.1021/jm00166a012

Reference yield: 88.0%

1,2,4-trimethoxy-benzene (135-77-3) + acetic anhydride (108-24-7) → 2',4',5'-trimethoxyacetophenone (1818-28-6)

Guidance literature:

With iodine; for 18h; Heating;

upstream raw materials:

1,2,4-trimethoxy-benzene

acetyl chloride

2-hydroxy-4,5-dimethoxyacetophenone

dimethyl sulfate

Downstream raw materials:

(2E)-1-(2,4,5-trimethoxyphenyl)-3-(1,3-benzodioxol-5-yl)-2-propen-1-one

2',4',5'-trimethoxy-chalcone

1-phenyl-3-(2,4,5-trimethoxy-phenyl)-propane-1,3-dione

2,4,5-trimethoxyacetoxybenzene

Refernces

• 1、 Nguyen, Hai Truong,Ngo, Dung Kim Thi,Chau, Khiem Duy Nguyen,Tran, Phuong Hoang. "Imidazolium Triflate Ionic Liquid Improves the Activity of ZnCl2 in the Synthesis of Pyrroles and Ketones". . p. 157 - 165. Retrieved 2021/03/16.
• 2、 Jin, Xiaojun,Wang, Ailing,Cao, Hongyu,Zhang, Shujia,Wang, Lihao,Zheng, Xueliang,Zheng, Xuefang. "A new efficient method for the preparation of intermediate aromatic ketones by Friedel–Crafts acylation". . p. 5521 - 5530. Retrieved 2018/04/30.