Pyrrolidine-1-valeronitrile

Base Information

• Chemical Name: Pyrrolidine-1-valeronitrile
• CAS No.: 71888-57-8
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.239
• European Community (EC) Number: 276-146-6
• NSC Number: 96979
• UNII: ZNX3HAT3CL
• DSSTox Substance ID: DTXSID20222146
• Nikkaji Number: J318.803E
• Wikidata: Q83100311
• ChEMBL ID: CHEMBL1525379
• Mol file: 71888-57-8.mol

Synonyms:Pyrrolidine-1-valeronitrile;71888-57-8;1-Pyrrolidinevaleronitrile;1-Pyrrolidinepentanenitrile;5-pyrrolidin-1-ylpentanenitrile;ZNX3HAT3CL;MLS000736980;EINECS 276-146-6;NSC-96979;NSC96979;UNII-ZNX3HAT3CL;5-Pyrrolizinovaleronitrile;SCHEMBL149979;CHEMBL1525379;DTXSID20222146;NSC 96979;AKOS009058729;NCGC00246905-01;SMR000528451;5-(PYRROLIDIN-1-YL)PENTANENITRILE

Chemical Property of Pyrrolidine-1-valeronitrile

Chemical Property:

• Vapor Pressure: 0.00732mmHg at 25°C
• Boiling Point: 269.3°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 27.03000
• Density: 0.949g/cm³
• LogP: 1.71398
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCCCC#N
• Use Description: Pyrrolidine-1-valeronitrile is a chemical compound with potential applications in various fields. In the pharmaceutical and medicinal field, it can serve as a valuable intermediate in the synthesis of organic compounds and pharmaceutical agents, potentially contributing to the development of new drugs for treating various medical conditions. Its role is pivotal in drug discovery and development, aiding in the creation of medications that address health concerns. Additionally, in the realm of organic synthesis and chemical research, this compound can be used as a building block for the creation of complex organic molecules, facilitating the exploration of new synthetic pathways and reactions. Furthermore, in academic and industrial laboratories, it may serve as a reference compound for the study of nitriles and their reactivity, contributing to the advancement of chemical research and understanding. Its multifaceted utility underscores its significance in pharmaceuticals, chemical synthesis, and scientific investigation, where it plays a crucial role in drug innovation, compound synthesis, and chemical analysis.

Technology Process of Pyrrolidine-1-valeronitrile

There total 2 articles about Pyrrolidine-1-valeronitrile 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: 72.0%

pyrrolidine (123-75-1) + 5-bromopentan-1-nitrile (5414-21-1) → 5-(pyrrolidin-1-yl)-pentanenitrile (71888-57-8)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; at 20 ℃; for 13h;

DOI:10.1021/ja1017078

Reference yield:

→ 5-(pyrrolidin-1-yl)-pentanenitrile (71888-57-8)

Guidance literature:

Reference yield:

5-(pyrrolidin-1-yl)-pentanenitrile (71888-57-8) → 5-(pyrrolidin-1-yl)pentan-1-amine (71302-71-1)

Guidance literature:

upstream raw materials:

pyrrolidine

5-bromopentan-1-nitrile

Downstream raw materials:

5-(pyrrolidin-1-yl)pentan-1-amine

Refernces

• 1、 -. "SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) BENZOHETEROARYL COMPOUNDS". . . Retrieved 2008/06/13.