2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile

Base Information

• Chemical Name: 2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile
• CAS No.: 126202-92-4
• Molecular Formula: C19H14BrN3O
• Molecular Weight: 380.244
• DSSTox Substance ID: DTXSID101160486
• Mol file: 126202-92-4.mol

Synonyms:126202-92-4;2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile;2-amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile;CBMicro_048482;DTXSID101160486;2-Amino-6-(4-bromo-phenyl)-4-(4-methoxy-phenyl)-nicotinonitrile;AKOS000286709;CCG-304251;BIM-0048395.P001;2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-3-pyridinecarbonitrile

Chemical Property of 2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 379.03202
• Heavy Atom Count: 24
• Complexity: 449

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Br

Technology Process of 2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile

There total 2 articles about 2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)nicotinonitrile 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: 86.0%

4-bromo-4'-methoxychalcone (92873-00-2) + malononitrile (109-77-3) → 2-amino-3-cyano-4-(p-methoxyphenyl)-6-(p-bromophenyl)pyridine (126202-92-4)

Guidance literature:

With ammonium acetate; In ethanol; at 30 ℃; for 0.416667h; Sonication;

DOI:10.5012/bkcs.2010.31.11.3180

Reference yield: 83.0%

3-(4-methoxyphenyl)-1-(4-bromophenyl)-2-propen-1-one (51863-81-1) + malononitrile (109-77-3) → 2-amino-3-cyano-4-(p-methoxyphenyl)-6-(p-bromophenyl)pyridine (126202-92-4)

Guidance literature:

With ammonium acetate; In ethanol; at 50 ℃; Green chemistry;

DOI:10.1080/15533174.2014.988234

Reference yield: 80.0%

thiourea (17356-08-0) + 2-amino-3-cyano-4-(p-methoxyphenyl)-6-(p-bromophenyl)pyridine (126202-92-4) → 4-amino-7-(4-bromophenyl)-5-(4-methoxyphenyl)pyrido<2,3-d>pyrimidine-2(1H)-thione

Guidance literature:

1.) 120 deg C - 130 deg C, 2 h, 2.) 260 deg C, 2 h;

upstream raw materials:

3-(4-methoxyphenyl)-1-(4-bromophenyl)-2-propen-1-one

malononitrile

4-bromo-4'-methoxychalcone

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