3-(3,4-Dimethoxyphenyl)-2-methylpropanal

Base Information

• Chemical Name: 3-(3,4-Dimethoxyphenyl)-2-methylpropanal
• CAS No.: 50838-61-4
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• NSC Number: 22281
• DSSTox Substance ID: DTXSID60281636
• Nikkaji Number: J1.653.212F
• Mol file: 50838-61-4.mol

Synonyms:50838-61-4;3-(3,4-dimethoxyphenyl)-2-methylpropanal;NSC22281;SCHEMBL5792794;DTXSID60281636;NSC-22281;AKOS013990830

Chemical Property of 3-(3,4-Dimethoxyphenyl)-2-methylpropanal

Chemical Property:

• Vapor Pressure: 0.00167mmHg at 25°C
• Boiling Point: 294°Cat760mmHg
• Flash Point: 122.4°C
• Density: 1.036g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)OC)OC)C=O

Technology Process of 3-(3,4-Dimethoxyphenyl)-2-methylpropanal

There total 10 articles about 3-(3,4-Dimethoxyphenyl)-2-methylpropanal 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: 57.0%

carbon monoxide (201230-82-2) + 1,2-dimethoxy-4-(2-propenyl)benzene (93-15-2) → 6,7-dimethoxy-1,2-dihydronaphthalene (35491-96-4) + 3-(3,4-dimethoxyphenyl)-2-methylpropanal (50838-61-4) + 4-(3,4-dimethoxyphenyl)butanal (52417-29-5) + Methylisoeugenol (93-16-3)

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); phosphoric acid; hydrogen; 3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetra-oxa-3,9-diphosphaspiro[5.5]-undecane; methoxybenzene; In dichloromethane; at 110 ℃; for 2h; under 15514.9 Torr; chemoselective reaction; Autoclave;

DOI:10.1016/j.catcom.2010.02.014

Reference yield:

carbon monoxide (201230-82-2) + 1,2-dimethoxy-4-(2-propenyl)benzene (93-15-2) → 3-(3,4-dimethoxyphenyl)-2-methylpropanal (50838-61-4) + 4-(3,4-dimethoxyphenyl)butanal (52417-29-5) + Methylisoeugenol (93-16-3)

Guidance literature:

With hydrogen; (2-oxo-1,2-dihydro-6-pyridyl)diphenylphosphine; acetylacetonatodicarbonylrhodium(l); In tetrahydrofuran; at 22 ℃; for 20h; under 760 Torr; Title compound not separated from byproducts;

DOI:10.1002/adsc.200505174

Reference yield:

carbon monoxide (201230-82-2) + 1,2-dimethoxy-4-(2-propenyl)benzene (93-15-2) → 3,4-dimethoxy-α-ethyl-benzeneacetaldehyde (50838-60-3) + 3-(3,4-dimethoxyphenyl)-2-methylpropanal (50838-61-4) + 4-(3,4-dimethoxyphenyl)butanal (52417-29-5) + Methylisoeugenol (93-16-3)

Guidance literature:

With hydrogen; rhodium(II)bis(2-ethylhexanoate); In water; toluene; at 125 ℃; for 4h; under 18751.9 Torr;

upstream raw materials:

1-acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene

carbon monoxide

1,2-dimethoxy-4-(2-propenyl)benzene

1,2-dimethoxy-4-(E)-propenylbenzene

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