3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile

Base Information

• Chemical Name: 3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile
• CAS No.: 25924-26-9
• Molecular Formula: C16H18N2O3
• Molecular Weight: 286.331
• DSSTox Substance ID: DTXSID60538894
• Mol file: 25924-26-9.mol

Synonyms:3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile;25924-26-9;DTXSID60538894

Chemical Property of 3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.13174244
• Heavy Atom Count: 21
• Complexity: 459

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile

There total 1 articles about 3-Acetyl-3-(3,4-dimethoxyphenyl)hexanedinitrile 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:

→ 3-Acetyl-3-(3,4-dimethoxyphenyl)hexandisaeuredinitril (25924-26-9)

Guidance literature:

IV, Acrylnitril;

Reference yield: 93.0%

3-Acetyl-3-(3,4-dimethoxyphenyl)hexandisaeuredinitril (25924-26-9) → 3a-(3,4-dimethoxyphenyl)-7a-methyl-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo<2,3-b>pyridine-2,6-dione

Guidance literature:

With potassium carbonate; In methanol; at 80 ℃; for 4h;

DOI:10.1002/ardp.19873200319

Reference yield: 67.1%

3-Acetyl-3-(3,4-dimethoxyphenyl)hexandisaeuredinitril (25924-26-9) → 4-(2-cyanoethyl)-4-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylpyrrolidin-2-one (25919-09-9) + 3a-(3,4-dimethoxyphenyl)-7a-methyl-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo<2,3-b>pyridine-2,6-dione + 5-amino-4-(2-cyanoethyl)-4-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydrofuran-2(3H)-one (25919-10-2) + 3-acetyl-5-cyano-3-(3,4-dimethoxyphenyl)pentanamide (97839-28-6)

Guidance literature:

With sulfuric acid; for 5h; Yields of byproduct given; Ambient temperature;

Downstream raw materials:

7a-methyl-3a-(3,4-dimethoxyphenyl)-3,3a,4,5,7,7a-hexahydrofuro<2,3-b>pyridine-2,6-dione

5-amino-4-(2-cyanoethyl)-4-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydrofuran-2(3H)-one

3-acetyl-5-cyano-3-(3,4-dimethoxyphenyl)pentanamide

3a-(3,4-dimethoxyphenyl)-2,3,3a,4,5,6-hexahydro-1H-indole-2,6-dione

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