4-Pyridinebutanenitrile

Base Information

• Chemical Name: 4-Pyridinebutanenitrile
• CAS No.: 84200-09-9
• Molecular Formula: C9H10 N2
• Molecular Weight: 146.192
• DSSTox Substance ID: DTXSID30543798
• Wikidata: Q82420761
• Mol file: 84200-09-9.mol

Synonyms:4-Pyridinebutanenitrile;84200-09-9;4-pyridin-4-ylbutanenitrile;4-(PYRIDIN-4-YL)BUTANENITRILE;4-(3-cyanopropyl)pyridine;4-pyridinebutyronitrile;4-(4-pyridyl)butyronitrile;SCHEMBL7719587;DTXSID30543798;OXAMZLPBBCZRMY-UHFFFAOYSA-N;AKOS006293120;CS-0117758

Chemical Property of 4-Pyridinebutanenitrile

Chemical Property:

• PSA: 36.68000
• LogP: 1.92788
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.084398327
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99%min ^*data from raw suppliers

4-pyridin-4-yl-butyronitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CCCC#N

Technology Process of 4-Pyridinebutanenitrile

There total 11 articles about 4-Pyridinebutanenitrile 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: 99.0%

3-(4-pyridyl)-1-chloropropane (5264-02-8) + sodium cyanide (143-33-9,25596-52-5) → 4-(3-cyanopropyl)pyridine (84200-09-9)

Guidance literature:

In dimethyl sulfoxide; for 2h; Heating;

DOI:10.1016/S0960-894X(97)00109-1

Reference yield: 72.5%

4-(4-pyridyl)butanamide (71879-58-8) → 4-(3-cyanopropyl)pyridine (84200-09-9)

Guidance literature:

With pyridine; trifluoroacetic anhydride; In 1,4-dioxane; at 10 - 15 ℃; for 3h; Cooling with ice;

Reference yield: 72.0%

3-(4-pyridyl)-1-chloropropane (5264-02-8) + potassium cyanide (151-50-8) → 4-(3-cyanopropyl)pyridine (84200-09-9)

Guidance literature:

In dimethyl sulfoxide;

DOI:10.1002/hlca.19820650621

upstream raw materials:

4-vinylpyridine

acetonitrile

picoline

acrylonitrile

Downstream raw materials:

4-(4-pyridinyl)butan-1-ol

N-(4-Pyridin-4-yl-butyl)-acetamide

γ-(pyridin-4-yl)butyric acid

Refernces

• 1、 Menghin, Sonja,Pertz, Heinz H.,Kramer, Kai,Seifert, Roland,Schunack, Walter,Elz, Sigurd. "Nα-Imidazolylalkyl and Pyridylalkyl Derivatives of Histaprodifen: Synthesis and in Vitro Evaluation of Highly Potent Histamine H1-Receptor Agonists". . p. 5458 - 5470. Retrieved 2007/10/03.
• 2、 -. "Substituted dibenzoxazepine and dibenzthiazepine carbamate compounds, pharmaceutical compositions and methods of use". . . Retrieved 2008/06/13.