1-(3,4-Dimethoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)propan-1-one
• CAS No.: 1835-04-7
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2914509090
• European Community (EC) Number: 695-370-9
• NSC Number: 16954
• DSSTox Substance ID: DTXSID60171427
• Nikkaji Number: J792.045H
• Wikidata: Q83041507
• Metabolomics Workbench ID: 137920
• ChEMBL ID: CHEMBL479685
• Mol file: 1835-04-7.mol

Synonyms:1-(3,4-dimethoxyphenyl)propan-1-one;1835-04-7;3,4-Dimethoxypropiophenone;Propioveratrone;1-(3,4-Dimethoxy-phenyl)-propan-1-one;1-Propanone, 1-(3,4-dimethoxyphenyl)-;1-(3,4-Dimethoxyphenyl)-1-propanone;3,4-Dimethoxyphenyl ethyl ketone;Propiophenone, 3',4'-dimethoxy-;3',4'-DIMETHOXYPROPIOPHENONE;3',4'-dimethoxy-1-phenylpropiophenone;MFCD00482089;AI3-23454;NSC16954;ghl.PD_Mitscher_leg0.580;MLS001048910;SCHEMBL515746;CHEMBL479685;DTXSID60171427;CHEBI:167438;HMS2268J04;BBL009808;NSC 16954;NSC-16954;STK043726;AKOS000115379;1-(3,4-dimethoxyphenyl)-propan-1-one;NCGC00246237-01;NS-01887;SMR000387103;LS-122898;Propan-1-one, 1-(3,4-dimethoxyphenyl)-;AM20030211;CS-0152658;FT-0614354;EN300-01082;Y14672;1-(3,4-dimethoxy-phenyl)-propan-1-one, AldrichCPR;Z57952774

Chemical Property of 1-(3,4-Dimethoxyphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Melting Point: 62–63°C
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 295.2 ºC at 760 mmHg
• Flash Point: 123.2 ºC
• PSA: 35.53000
• Density: 1.047 g/cm³
• LogP: 2.29650
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Dichloromethane, Ether, Ethyl Acetate, Methanol
• XLogP3: 2.2
• 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

3,4-Dimethoxypropiophenone ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=C(C=C1)OC)OC
• Uses: 3,4-Dimethoxypropiophenone (cas# 1835-04-7) is a compound useful in organic synthesis.

Technology Process of 1-(3,4-Dimethoxyphenyl)propan-1-one

There total 70 articles about 1-(3,4-Dimethoxyphenyl)propan-1-one 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: 29.0%

2-(2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1,3-propanediol → 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + ethyl 3,4-dimethoxyphenyl ketone (1835-04-7) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

With C₃₂H₂₅Cl₂N₆O₂Rh₂⁽¹⁺⁾*Cl^(1-); sodium hydroxide; In water; at 110 ℃; for 18h; Inert atmosphere;

Reference yield: 26.0%

1-(3,4-dimethoxyphenyl)-2-(methoxyphenoxy)propane-1,3-diol (10535-17-8) → ethyl 3,4-dimethoxyphenyl ketone (1835-04-7) + 2-methoxy-phenol (90-05-1) + 1-(3,4-dimethoxyphenyl)ethanone (1131-62-0)

Guidance literature:

With C₃₂H₂₅Cl₂N₆O₂Rh₂⁽¹⁺⁾*Cl^(1-); sodium hydroxide; In water; at 110 ℃; for 18h; Inert atmosphere;

Reference yield: 20.0%

1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one (10548-77-3) → 1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)-1-propanone (1835-09-2) + 2-methoxyphenoxy-3',4'-dimethoxyacetophenone (22675-96-3) + ethyl 3,4-dimethoxyphenyl ketone (1835-04-7) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With hydridochlorotris(triphenylphosphine)ruthenium(II); [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In 5,5-dimethyl-1,3-cyclohexadiene; at 160 ℃; for 16h; Inert atmosphere; Glovebox;

DOI:10.1002/anie.201410620

upstream raw materials:

4-(1,2-dibromo-propyl)-1,2-dimethoxy-benzene

3-(N,N-dimethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one

N,N-diethyl-3,4-dimethoxybenzamide

ethylmagnesium bromide

Downstream raw materials:

(E)-4-(but-2-en-2-yl)-1,2-dimethoxybenzene

1-(3,4-dimethoxy-phenyl)-propylamine

2-bromo-1-(3,4-dimethoxyphenyl)propan-1-one

1-(3,4-dimethoxyphenyl)propan-1-ol

Refernces

• 1、 Yadav, Ganapati D.,More, Santosh R.. "Friedel-Crafts propionylation of veratrole to 3,4-dimethoxypropiophenone over superacidic UDCaT-5 catalyst". . p. 123 - 130. Retrieved 2012.
• 2、 -. "Preparation method and application of apocynin and derivatives of apocynin". Paragraph 0067-0070. . Retrieved 2020/01/12.
• 3、 Zhao, Jiajin,Cheng, Biao,Chen, Chenhui,Lu, Zhan. "Cobalt-Catalyzed Migrational Isomerization of Styrenes". supporting information. p. 837 - 841. Retrieved 2020/01/31.