4-(azepan-1-yl)benzonitrile

Base Information

• Chemical Name: 4-(azepan-1-yl)benzonitrile
• CAS No.: 162377-67-5
• Molecular Formula: C13H16N2
• Molecular Weight: 200.283
• Hs Code.: 2933998090
• Mol file: 162377-67-5.mol

Synonyms:Benzonitrile,4-(hexahydro-1H-azepin-1-yl);4-(homopiperidin-1-yl)benzonitrile;4-azepan-1-ylbenzonitrile;4-(Hexahydroazepin-1-yl)benzonitrile;

Chemical Property of 4-(azepan-1-yl)benzonitrile

Chemical Property:

• Boiling Point: 364.5±25.0 °C(Predicted)
• PKA: 6.28±0.20(Predicted)
• PSA: 27.03000
• Density: 1.07±0.1 g/cm3(Predicted)
• LogP: 3.00368

Purity/Quality:

99.90% ^*data from raw suppliers

4-(Azepan-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(azepan-1-yl)benzonitrile

There total 1 articles about 4-(azepan-1-yl)benzonitrile 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: 94.0%

hexamethylene imine (111-49-9) + 4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-(Hexahydroazepin-1-yl)benzonitrile (162377-67-5)

Guidance literature:

In dimethyl sulfoxide; at 120 ℃; for 4h;

DOI:10.1021/jm070276i

Reference yield: 100.0%

4-(Hexahydroazepin-1-yl)benzonitrile (162377-67-5) → (4-(azepan-1-yl)phenyl)methanamine (581812-79-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1h; Heating;

DOI:10.1021/jm070276i

Reference yield:

4-(Hexahydroazepin-1-yl)benzonitrile (162377-67-5) → hexamethylene imine (111-49-9) + 4-fluorobenzonitrile (1194-02-1,143234-87-1)

Guidance literature:

upstream raw materials:

hexamethylene imine

4-fluorobenzonitrile

Downstream raw materials:

(4-(azepan-1-yl)phenyl)methanamine

N-(5-(3-(4-(azepan-1-yl)benzyl)ureido)isoquinolin-3-yl)acetamide

hexamethylene imine

4-fluorobenzonitrile

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