2-(4-Aminophenoxy)benzonitrile

Base Information

• Chemical Name: 2-(4-Aminophenoxy)benzonitrile
• CAS No.: 30202-91-6
• Molecular Formula: C₁₃H₁₀N₂O
• Molecular Weight: 210.235
• European Community (EC) Number: 878-164-5
• Mol file: 30202-91-6.mol

Synonyms:2-(4-aminophenoxy)benzonitrile;30202-91-6;2-(4-AMINO-PHENOXY)-BENZONITRILE;BBL020658;MFCD04966883;STK893348;AKOS000215320;SB79059;CS-0251191;2-(4-amino-phenoxy)-benzonitrile, AldrichCPR;EN300-53950;Z330804804

Chemical Property of 2-(4-Aminophenoxy)benzonitrile

Chemical Property:

• Boiling Point: 381.5±27.0 °C(Predicted)
• PKA: 4.57±0.10(Predicted)
• Density: 1.23±0.1 g/cm3(Predicted)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.079312947
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

2-(4-aminophenoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C#N)OC2=CC=C(C=C2)N

Technology Process of 2-(4-Aminophenoxy)benzonitrile

There total 5 articles about 2-(4-Aminophenoxy)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: 74.0%

1-(2'-cyanophenoxy)-4-nitrobenzene (148901-61-5) → 2-(4-aminophenoxy)benzonitrile (30202-91-6)

Guidance literature:

With hydrogen; palladium; In ethanol; ethyl acetate; for 2.5h;

Reference yield:

2-fluorobenzonitrile (394-47-8) + 4-amino-phenol (123-30-8) → 2-(4-aminophenoxy)benzonitrile (30202-91-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 4h;

DOI:10.3390/molecules200916604

Reference yield:

4-Fluoronitrobenzene (350-46-9,178603-76-4) → 2-(4-aminophenoxy)benzonitrile (30202-91-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 8 h / Inert atmosphere; Heating

2: palladium 10% on activated carbon; hydrogen / dichloromethane / 20 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1039/c5nj00215j

upstream raw materials:

1-(2'-cyanophenoxy)-4-nitrobenzene

salicylonitrile

4-Fluoronitrobenzene

2-fluorobenzonitrile

Downstream raw materials:

C₁₇H₁₃N₃O₃

C₃₀H₂₁N₃O₄

C₃₀H₂₁N₃O₄