4-Azidobutanenitrile

Base Information

• Chemical Name: 4-Azidobutanenitrile
• CAS No.: 21994-40-1
• Molecular Formula: C4H6 N4
• Molecular Weight: 110.118
• NSC Number: 137895
• DSSTox Substance ID: DTXSID60398334
• Nikkaji Number: J832.399B
• Wikidata: Q82200235
• Mol file: 21994-40-1.mol

Synonyms:4-azidobutanenitrile;21994-40-1;SCHEMBL15229267;DTXSID60398334;NSC137895;AKOS010633574;NSC-137895;EN300-111967

Chemical Property of 4-Azidobutanenitrile

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 110.059246208
• Heavy Atom Count: 8
• Complexity: 135

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC#N)CN=[N+]=[N-]

Technology Process of 4-Azidobutanenitrile

There total 3 articles about 4-Azidobutanenitrile 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: 90.0%

4-bromobutanenitrile (5332-06-9) → 4-azidobutanenitrile (21994-40-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1021/jm9010669

Reference yield: 85.0%

4-Chlorobutyronitrile (628-20-6) → 4-azidobutanenitrile (21994-40-1)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1021/acs.orglett.0c01780

Reference yield:

→ 4-azidobutanenitrile (21994-40-1)

Guidance literature:

4-Chlor-butyronitril, NaN3, Diethylenglykol, 100grad, 24h;

DOI:10.1021/ja01025a043

upstream raw materials:

4-Chlorobutyronitrile

4-bromobutanenitrile

Downstream raw materials:

4-aminobutyronitrile

4-(4-benzoyl-1H-1,2,3-triazol-1-yl)butanenitrile

4-amino-n-butyric acid

2-pyrrolidinon

Refernces

• 1、 Capon, Patrick K.,Avery, Thomas D.,Purdey, Malcolm S.,Abell, Andrew D.. "An improved synthesis of 4-aminobutanenitrile from 4-azidobutanenitrile and comments on room temperature stability". supporting information. p. 428 - 436. Retrieved 2020/12/25.
• 2、 Sijm, Maarten,de Heuvel, Erik,Matheeussen, An,Caljon, Guy,Maes, Louis,Sterk, Geert-Jan,de Esch, Iwan J. P.,Leurs, Rob. "Identification of Phenylphthalazinones as a New Class of Leishmania infantum Inhibitors". supporting information. p. 219 - 227. Retrieved 2019/12/27.