2-(3,4-DIMETHOXY-PHENYL)-5-{[2-(3,4-DIMETHOXYPHENYL)-ETHYL]METHYL-AMINO}-PENTANENITRILE

Base Information

• Chemical Name: 2-(3,4-DIMETHOXY-PHENYL)-5-{[2-(3,4-DIMETHOXYPHENYL)-ETHYL]METHYL-AMINO}-PENTANENITRILE
• CAS No.: 95748-23-5
• Molecular Formula: C24H32 N2 O4
• Molecular Weight: 412.529
• Hs Code.: 2926909090
• Mol file: 95748-23-5.mol

Synonyms:Valeronitrile,5-[(3,4-dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)- (7CI)

Chemical Property of 2-(3,4-DIMETHOXY-PHENYL)-5-{[2-(3,4-DIMETHOXYPHENYL)-ETHYL]METHYL-AMINO}-PENTANENITRILE

Chemical Property:

• PSA: 63.95000
• LogP: 4.28288

Purity/Quality:

97% ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)-ethyl]methyl-amino}-pentanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)-ethyl]methyl-amino}-pentanenitrile (cas# 95748-23-5) is a compound useful in organic synthesis.

Technology Process of 2-(3,4-DIMETHOXY-PHENYL)-5-{[2-(3,4-DIMETHOXYPHENYL)-ETHYL]METHYL-AMINO}-PENTANENITRILE

There total 4 articles about 2-(3,4-DIMETHOXY-PHENYL)-5-{[2-(3,4-DIMETHOXYPHENYL)-ETHYL]METHYL-AMINO}-PENTANENITRILE 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: 88.0%

N-methylhomoveratrylamine (3490-06-0) + 5-Bromo-2-(3,4-dimethoxy-phenyl)-pentanenitrile → 2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-pentanenitrile (95748-23-5)

Guidance literature:

With sodium carbonate; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1021/acscatal.1c05271

Reference yield: 32.0%

N-methylhomoveratrylamine (3490-06-0) + 5-chloro-2-(3,4-dimethoxy-phenyl)-pentanenitrile (1616284-87-7) → 2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-pentanenitrile (95748-23-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1016/j.bmcl.2014.05.022

Reference yield:

3,4-dimethoxyphenylacetonitrile (93-17-4) → 2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-pentanenitrile (95748-23-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C

1.2: 0.33 h / -78 °C

1.3: 1 h / 22 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 80 °C

With n-butyllithium; potassium carbonate; diisopropylamine; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2014.05.022

upstream raw materials:

N-methylhomoveratrylamine

5-chloro-2-(3,4-dimethoxy-phenyl)-pentanenitrile

3,4-dimethoxyphenylacetonitrile

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