4-Aminobenzonitrile hydrochloride

Base Information

• Chemical Name: 4-Aminobenzonitrile hydrochloride
• CAS No.: 2570-98-1
• Molecular Formula: C₇H₆N₂*ClH
• Molecular Weight: 154.599
• Mol file: 2570-98-1.mol

Synonyms:4-aminobenzonitrile hydrochloride;SCHEMBL2439955;JTEZENDVAJWZLM-UHFFFAOYSA-N;AKOS003808631

Chemical Property of 4-Aminobenzonitrile hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.0297759
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)N.Cl

Technology Process of 4-Aminobenzonitrile hydrochloride

There total 4 articles about 4-Aminobenzonitrile hydrochloride 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%

4-nitrobenzonitrile (619-72-7) → 4-aminobenzonitrile hydrochloride (2570-98-1)

Guidance literature:

4-nitrobenzonitrile; With iron(III)-acetylacetonate; 1,1,3,3-Tetramethyldisiloxane; 1,2,3-trimethoxy glycerol ether; at 80 ℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.0833333h; Green chemistry;

DOI:10.1039/c3gc41082j

Reference yield: 77.0%

ethylmagnesium bromide (925-90-6) + N-(4-cyanophenyl)acetamide (35704-19-9) → 4-aminobenzonitrile hydrochloride (2570-98-1) + butanone (78-93-3)

Guidance literature:

N-(4-cyanophenyl)acetamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.5h;

ethylmagnesium bromide; With cerium(III) chloride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 2h;

With hydrogenchloride; In ethyl acetate; chemoselective reaction;

DOI:10.1016/j.cclet.2015.05.033

Reference yield:

4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)amino)benzonitrile → 4-aminobenzonitrile hydrochloride (2570-98-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; water;

DOI:10.1002/anie.202114598

upstream raw materials:

4-nitrobenzonitrile

4-Aminobenzonitrile

ethylmagnesium bromide

N-(4-cyanophenyl)acetamide

Downstream raw materials:

tert-butyl N-(4-cyanophenyl)carbamate

N-(4-cyanophenyl)-2-methyl-2-phenylpropanamide

C₁₆H₉ClN₄O₂

C₂₀H₁₂N₄O₂