39066-07-4

Basic information

• Product Name: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE
• Synonyms: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE
• CAS NO: 39066-07-4
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.28
• Mol File: 39066-07-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 333.3±37.0 °C(Predicted)
• Appearance: /
• Density: 1.025±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE(39066-07-4)
• EPA Substance Registry System: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE(39066-07-4)

Safety Data

• Hazardous Substances Data: 39066-07-4(Hazardous Substances Data)

Usage

General Description

1-(3,4-Dimethoxyphenyl)-valeronitrile is a chemical compound with the molecular formula C13H15NO2. It is a nitrile derivative of valerophenone and contains a valeronitrile group. 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE is often used in organic synthesis and medicinal chemistry research. It has been studied for its potential pharmaceutical applications, particularly as an intermediate in the synthesis of novel drugs and pharmacologically active compounds. The presence of the dimethoxyphenyl group in its structure may contribute to its biological activity and potential therapeutic properties. Overall, 1-(3,4-Dimethoxyphenyl)-valeronitrile is a valuable chemical compound with various potential applications in the fields of chemistry and drug discovery.

Upstream product

• 71-23-8 propan-1-ol 
• 93-17-4 3,4-dimethoxyphenylacetonitrile 
• 74-96-4 ethyl bromide 

Downstream Products

• 1616284-90-2 5-chloro-2-(3,4-dimethoxy-phenyl)-2-propyl-pentanenitrile 

Relevant articles and documents

Structure and Biocatalytic Scope of Coclaurine N-Methyltransferase

Benzylisoquinoline alkaloids (BIAs) are a structurally diverse family of plant secondary metabolites, which have been exploited to develop analgesics, antibiotics, antitumor agents, and other therapeutic agents. Biosynthesis of BIAs proceeds via a common pathway from tyrosine to (S)-reticulene at which point the pathway diverges. Coclaurine N-methyltransferase (CNMT) is a key enzyme in the pathway to (S)-reticulene, installing the N-methyl substituent that is essential for the bioactivity of many BIAs. In this paper, we describe the first crystal structure of CNMT which, along with mutagenesis studies, defines the enzymes active site architecture. The specificity of CNMT was also explored with a range of natural and synthetic substrates as well as co-factor analogues. Knowledge from this study could be used to generate improved CNMT variants required to produce BIAs or synthetic derivatives.