2',4'-Dimethoxypropiophenone

Base Information

• Chemical Name: 2',4'-Dimethoxypropiophenone
• CAS No.: 831-00-5
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2914509090
• European Community (EC) Number: 212-601-7
• NSC Number: 34097
• UNII: 9EYJ6T4Z7D
• DSSTox Substance ID: DTXSID00232167
• Nikkaji Number: J109.471H
• Wikidata: Q83113202
• Mol file: 831-00-5.mol

Synonyms:2',4'-Dimethoxypropiophenone;831-00-5;1-(2,4-dimethoxyphenyl)propan-1-one;Propiophenone, 2',4'-dimethoxy-;1-Propanone, 1-(2,4-dimethoxyphenyl)-;2'.4'-Dimethoxypropiophenone;EINECS 212-601-7;NSC-34097;1-(2,4-Dimethoxyphenyl)-1-propanone;NSC34097;Maybridge4_000442;9EYJ6T4Z7D;SCHEMBL4653380;DTXSID00232167;CHEBI:167433;2'4'-Dimethoxypropiophenone 97;HMS1522E02;CCG-43153;NSC 34097;2',4'-Dimethoxypropiophenone, 97%;AKOS000296109;IDI1_031024;NCGC00177575-01;1-(2,4-Dimethoxyphenyl)-1-propanone #;BS-22832;Propan-1-one, 1-(2,4-dimethoxyphenyl)-;CS-0204890;FT-0610147;N12069;SR-01000633098-1;BRD-K60578973-001-01-8

Chemical Property of 2',4'-Dimethoxypropiophenone

Chemical Property:

• Melting Point: 76-80 °C(lit.)
• Boiling Point: 316oC at 760 mmHg
• Flash Point: 135.9oC
• PSA: 35.53000
• Density: 1.047g/cm3
• LogP: 2.29650
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

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

2'',4''-Dimethoxypropiophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)OC)OC

Technology Process of 2',4'-Dimethoxypropiophenone

There total 12 articles about 2',4'-Dimethoxypropiophenone 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%

propionyl chloride (79-03-8) + 1,3-Dimethoxybenzene (151-10-0) → 2,4-dimethoxypropiophenone (831-00-5)

Guidance literature:

With indium(III) tosylate; In nitromethane; for 0.25h; Reflux;

DOI:10.1016/j.tet.2015.07.027

Reference yield: 58.0%

C14H18ClNO3S + 1,3-Dimethoxybenzene (151-10-0) → 2-(2,4-dimethoxyphenyl)-N-tosylpyrrolidine (949723-88-0) + anti-1-(2,4-dimethoxyphenyl)-2-(1-tosylpyrrolidin-2-yl)propan-1-one + 2,4-dimethoxypropiophenone (831-00-5)

Guidance literature:

With indium(III) triflate; In 1,2-dichloro-ethane; at 23 ℃; optical yield given as %de; Molecular sieve;

Reference yield: 55.0%

2',4'-dihydroxypropiophenone (5792-36-9) + methyl iodide (74-88-4) → 2,4-dimethoxypropiophenone (831-00-5)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Inert atmosphere; Reflux;

DOI:10.1002/chem.201302117

upstream raw materials:

propionic acid

1,3-Dimethoxybenzene

2',4'-dihydroxypropiophenone

dimethyl sulfate

Downstream raw materials:

[1-(2,4-Dimethoxy-phenyl)-prop-(E)-ylidene]-((S)-2-methoxymethyl-pyrrolidin-1-yl)-amine

ethyl 2-(2,4-dimethoxyphenyl)propanoate

1-(1-(2,4-dimethoxyphenyl)prop-1-en-1-yl)-1H-indole-4-carbonitrile

Refernces

• 1、 Al-Rifai, Nafisah,Ruecker, Hannelore,Amslinger, Sabine. "Opening or closing the lock? when reactivity is the key to biological activity". supporting information. p. 15384 - 15395. Retrieved 2013/11/06.
• 2、 Cernak, Tim A.,Lambert, Tristan H.. "Multicatalytic synthesis of r-pyrrolidinyl ketones via a tandem palladium(ii)/ indium(iii)-catalyzed aminochlorocarbonylation/friedel-crafts acylation reaction". supporting information; experimental part. p. 3124 - 3125. Retrieved 2009/07/30.