2',4'-Dimethoxyacetophenone

Base Information

• Chemical Name: 2',4'-Dimethoxyacetophenone
• CAS No.: 829-20-9
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29145090
• European Community (EC) Number: 212-587-2
• NSC Number: 46645
• UNII: 5ASM4Y5MBX
• DSSTox Substance ID: DTXSID70232073
• Nikkaji Number: J60.317A
• Wikidata: Q63395470
• ChEMBL ID: CHEMBL3039420
• Mol file: 829-20-9.mol

Synonyms:2',4'-Dimethoxyacetophenone;829-20-9;1-(2,4-dimethoxyphenyl)ethanone;2,4-Dimethoxyacetophenone;1-(2,4-Dimethoxyphenyl)ethan-1-one;Ethanone, 1-(2,4-dimethoxyphenyl)-;PEONOL METHYL ETHER;Acetophenone, 2',4'-dimethoxy-;MFCD00008727;5ASM4Y5MBX;EINECS 212-587-2;NSC-46645;AI3-10505;NSC46645;UNII-5ASM4Y5MBX;2`,4`-Dimethoxyacetophenone;Resacetophenone dimethyl ether;SCHEMBL246262;2',4'-dimethoxy-acetophenone;CHEMBL3039420;VQTDPCRSXHFMOL-UHFFFAOYSA-;DTXSID70232073;CHEBI:167428;STR06915;1-(2,4-Dimethoxy-phenyl)-ethanone;2',4'-Dimethoxyacetophenone, 97%;AC1203;BBL027722;NSC 46645;STL301369;AKOS000119028;4-ACETYL-1,3-DIMETHOXYBENZENE;AC-2999;AM10628;CCG-214744;CS-W021196;PS-3811;SDCCGMLS-0066943.P001;BP-12734;SY015389;2',4'-Dihydroxyacetophenone, dimethyl ether;D2030;FT-0633006;EN300-16135;SR-05000002414;SR-05000002414-1;W-104155;Q63395470;Z54850161;F0001-2122

Chemical Property of 2',4'-Dimethoxyacetophenone

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Melting Point: 37-40 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 288 °C at 760 mmHg
• Flash Point: 127.1 °C
• PSA: 35.53000
• Density: 1.066 g/cm³
• LogP: 1.90640
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• 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'',4''-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=C(C=C1)OC)OC

Technology Process of 2',4'-Dimethoxyacetophenone

There total 52 articles about 2',4'-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%

2',3',4',5',6'-pentamethylacetophenone (2040-01-9) + 1,3-Dimethoxybenzene (151-10-0) → pentamethylbenzene, (700-12-9) + 2',4'-dimethoxyacetophenone (829-20-9)

Guidance literature:

trifluoroacetic acid; for 10h; Heating;

DOI:10.1039/P29860000847

Reference yield: 99.0%

acetyl chloride (75-36-5) + 1,3-Dimethoxybenzene (151-10-0) → 2',4'-dimethoxyacetophenone (829-20-9)

Guidance literature:

With indium(III) tosylate; In dodecane; nitromethane; for 2h; Solvent; Reagent/catalyst; Temperature; Time; Schlenk technique; Reflux;

DOI:10.1016/j.tet.2015.07.027

Reference yield: 99.0%

acetic anhydride (108-24-7) + 1,3-Dimethoxybenzene (151-10-0) → 2',4'-dimethoxyacetophenone (829-20-9)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; for 0.5h; Time; Inert atmosphere; Microwave irradiation; Heating; Green chemistry;

DOI:10.1039/c3gc40720a

upstream raw materials:

diazomethane

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

ethyl bromide

2',4'-dihydroxy-4-acetophenone

Downstream raw materials:

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

2',4'-dimethoxy-4-nitro-chalcone

2',4'-dimethoxychalcone

(E)‐3‐(4‐hydroxyphenyl)‐1‐(2,4‐dimethoxyphenyl)prop‐2‐en‐1‐one

Refernces

• 1、 -. "Dihydropyrazole MurA enzyme inhibitor molecule as well as preparation method and application thereof". Paragraph 0039-0044. . Retrieved 2021/05/12.
• 2、 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.