Dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
• CAS No.: 64670-42-4
• Molecular Formula: C19H24O8
• Molecular Weight: 380.3891
• DSSTox Substance ID: DTXSID00983288
• Mol file: 64670-42-4.mol

Synonyms:64670-42-4;dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate;1,3-Cyclohexanedicarboxylic acid, 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-, dimethyl ester;Oprea1_483978;Oprea1_491867;DTXSID00983288;NXIUIOFJKMTCKN-UHFFFAOYSA-N;STK373243;AKOS000652584;CCG-115027;LS-56780;EU-0048941;AB00096810-01;AQ-149/40045613;BRD-A81043097-001-01-1;dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

Chemical Property of Dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 3.09E-11mmHg at 25°C
• Boiling Point: 510.3°Cat760mmHg
• Flash Point: 175.9°C
• Density: 1.244g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 380.14711772
• Heavy Atom Count: 27
• Complexity: 576

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC)O

Technology Process of Dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

There total 2 articles about Dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate 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: 74.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + acetoacetic acid methyl ester (105-45-3) → 2-(3,4-Dimethoxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester (64670-42-4)

Guidance literature:

With piperidine; In methanol; at 20 ℃;

DOI:10.1023/A:1019678210738

Reference yield:

→ 2-(3,4-Dimethoxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester (64670-42-4)

Guidance literature:

3,4-Dimethoxy-benzaldehyd, Methylacetoacetat;

Reference yield: 35.0%

tryptamine (61-54-1) + 2-(3,4-Dimethoxy-phenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester (64670-42-4) → C29H34N2O7 (1176846-06-2)

Guidance literature:

With acetic acid; In ethanol; Reflux;

DOI:10.1134/S1070363208120116

upstream raw materials:

3,4-dimethoxy-benzaldehyde

acetoacetic acid methyl ester

Downstream raw materials:

C₂₉H₃₄N₂O₇

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