(2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile

Base Information

• Chemical Name: (2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile
• CAS No.: 107840-43-7
• Molecular Formula: C₉H₇ClN₂
• Molecular Weight: 178.621
• Hs Code.: 2926907090
• European Community (EC) Number: 850-724-3
• Mol file: 107840-43-7.mol

Synonyms:(2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile;107840-43-7;(E)-3-amino-3-(4-chlorophenyl)-2-propenenitrile;SCHEMBL562512;MFCD01871636;AKOS005100452;7P-049;(E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile

Chemical Property of (2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

(E)-3-Amino-3-(4-chlorophenyl)-2-propenenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=CC#N)N)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C(=C\C#N)/N)Cl

Technology Process of (2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile

There total 4 articles about (2E)-3-amino-3-(4-chlorophenyl)prop-2-enenitrile 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: 97.0%

4-Cyanochlorobenzene (623-03-0) + acetonitrile (75-05-8,26809-02-9) → 3-amino-3-(4-chlorophenyl)acrylonitrile (17197-20-5,25354-58-9,107840-43-7)

Guidance literature:

With potassium tert-butylate; In benzene; for 24h; Ambient temperature;

DOI:10.1002/jhet.5570350405

Reference yield: 76.0%

4-Cyanochlorobenzene (623-03-0) + acetonitrile (75-05-8,26809-02-9) → β-amino-β-(4-chlorophenyl)acrylonitrile (107840-43-7)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; at 20 ℃; for 3h; sonication;

DOI:10.1080/00397910701397144

Reference yield:

acetonitrile (75-05-8,26809-02-9) + p-chlorobenzyl cyanide (140-53-4) → 3-amino-3-(4-chlorophenyl)acrylonitrile (17197-20-5,25354-58-9,107840-43-7)

Guidance literature:

With potassium tert-butylate; In toluene; at 40 ℃; for 0.166667h;

DOI:10.1039/c5ra26931h

upstream raw materials:

4-Cyanochlorobenzene

acetonitrile

p-chlorobenzyl cyanide

Downstream raw materials:

3-(4-Bromo-2,6-dimethyl-phenyl)-5-(4-chloro-phenyl)-isoxazole-4-carbonitrile

(Z)-2-[3-(4-Bromo-2,6-dimethyl-phenyl)-[1,2,4]oxadiazol-5-yl]-1-(4-chloro-phenyl)-vinylamine

5-(4-Chloro-phenyl)-3-(2,6-dimethyl-phenyl)-isoxazole-4-carbonitrile

(Z)-1-(4-Chloro-phenyl)-2-[3-(2,6-dimethyl-phenyl)-[1,2,4]oxadiazol-5-yl]-vinylamine

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