2',5'-Dimethoxyacetophenone

Base Information

• Chemical Name: 2',5'-Dimethoxyacetophenone
• CAS No.: 1201-38-3
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29145090
• European Community (EC) Number: 214-858-0
• NSC Number: 62094
• UNII: Y79C66POM1
• DSSTox Substance ID: DTXSID0061618
• Nikkaji Number: J80.091K
• Wikidata: Q72467555
• Mol file: 1201-38-3.mol

Synonyms:2',5'-Dimethoxyacetophenone;1201-38-3;1-(2,5-Dimethoxyphenyl)ethanone;2,5-Dimethoxyacetophenone;Ethanone, 1-(2,5-dimethoxyphenyl)-;1-(2,5-dimethoxyphenyl)ethan-1-one;Acetophenone, 2',5'-dimethoxy-;MFCD00008728;Y79C66POM1;EINECS 214-858-0;NSC 62094;NSC-62094;1-(2,5-Dimethoxyphenyl)-Ethanone;2-Acetyl-1,4-dimethoxybenzene;NSC62094;2-PROPYLDECANOICACID;Acetophenone,5'-dimethoxy-;UNII-Y79C66POM1;2`,5`-Dimethoxyacetophenone;Ethanone,5-dimethoxyphenyl)-;SCHEMBL885028;2/',5/'-Dimethoxyacetophenone;2\',5\'-Dimethoxyacetophenone;DTXSID0061618;1-(2,5-dimethoxy-phenyl)-ethanone;1-(2,5-Dimethoxyphenyl)ethanone #;2',5'-Dimethoxyacetophenone, 99%;AC1205;STL195452;2',5'-DIMETHOXY ACETOPHENONE;AKOS000120312;PS-3414;2,5-Dihydroxyacetophenone, dimethyl ether;METHYL 2,5-DIMETHOXYPHENYL KETONE;SY003531;A2509;AM20020286;CS-0020017;D1444;FT-0610399;EN300-20601;A804538;W-108486;F0001-0337;Z104479138;2 inverted exclamation mark ,5 inverted exclamation mark -Dimethoxyacetophenone

Chemical Property of 2',5'-Dimethoxyacetophenone

Chemical Property:

• Appearance/Colour: clear yellow to green-yellow liquid
• Melting Point: 18-20 ºC
• Refractive Index: n20/D 1.5441(lit.)
• Boiling Point: 294.3 °C at 760 mmHg
• Flash Point: 111.3 °C
• PSA: 35.53000
• Density: 1.139 g/cm³
• LogP: 1.90640
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2'',5''-Dimethoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)OC)OC
• Uses: 2'',5''-Dimethoxyacetophenone is a useful building block which has been used in the preparation of pyridine and thieno[2,3-b] pyridine derivatives as anticancer PIM-1 kinase inhibitors, and in the synthesis of anti-cancer and apoptosis-inducing agents.

Technology Process of 2',5'-Dimethoxyacetophenone

There total 25 articles about 2',5'-Dimethoxyacetophenone 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: 99.0%

1-(2,5-dimethoxy-phenyl)-2-phenoxy-ethanone → 2',5'-dimethoxyacetophenone (1201-38-3)

Guidance literature:

With ammonium chloride; zinc; In ethanol; for 0.5h; Heating;

DOI:10.1080/00397910600978564

Reference yield: 98.0%

acetyl chloride (75-36-5) + 1,4-dimethoxybezene (150-78-7) → 2',5'-dimethoxyacetophenone (1201-38-3)

Guidance literature:

With aluminum (III) chloride;

DOI:10.1002/ejoc.201200176

Reference yield: 98.0%

2-bromo-2',5'-dimethoxyacetophenone (1204-21-3) → 2',5'-dimethoxyacetophenone (1201-38-3)

Guidance literature:

With ammonium chloride; zinc; In ethanol; at 80 ℃; for 0.00833333h; microwave irradiation;

DOI:10.1080/00397910701797889

upstream raw materials:

acetic anhydride

1,4-dimethoxybezene

acetic acid

acetyl chloride

Downstream raw materials:

(E)-1-(2,5-dimethoxyphenyl)-3-(3,4-methylenedioxyphenyl)-prop-2- en-1-one

1-(2,5-dimethoxy-phenyl)-butane-1,3-dione

(E)-1-(2,5-dimethoxyphenyl)ethylidene(isopropylidene)succinic anhydride

(Z)-1-(2,5-dimethoxyphenyl)ethylidene(isopropylidene)succinic anhydride

Refernces

• 1、 Abdelaziz, Marwa E.,El-Miligy, Mostafa M.M.,Fahmy, Salwa M.,Mahran, Mona A.,Hazzaa, Aly A.. "Design, synthesis and docking study of pyridine and thieno[2,3-b] pyridine derivatives as anticancer PIM-1 kinase inhibitors". . p. 674 - 692. Retrieved 2018.
• 2、 Luong, Minh Duc,Saeby, Jan,Fombasso, Pierre,Jacot-Guillarmod, Andre. "Phytochemistry of Genus Gentiana. XXVI. Identification of a New Di-O-glucosyl Cinnamoyl-C-glucosylflavone in the Leaves of Gentiana X marcailhouana RY.". . p. 2741 - 2745. Retrieved 1981.
• 3、 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.
• 4、 -. "Preparation method of 2,5-dimethoxyphenylacetic acid". Paragraph 0071; 0072. . Retrieved 2021/02/06.