N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide

Base Information

• Chemical Name: N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide
• CAS No.: 75232-10-9
• Molecular Formula: C₁₇H₁₁ClN₆
• Molecular Weight: 334.768
• DSSTox Substance ID: DTXSID201138478
• Mol file: 75232-10-9.mol

Synonyms:N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide;N'-[6-(4-chlorophenyl)-3,4,5-tricyano-2-pyridinyl]-N,N-dimethyliminoformamide;Oprea1_179241;DTXSID201138478;AKOS030245503;N'-[6-(4-Chlorophenyl)-3,4,5-tricyano-2-pyridinyl]-N,N-dimethylmethanimidamide

Chemical Property of N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 334.0733721
• Heavy Atom Count: 24
• Complexity: 609

Purity/Quality:

95%-98% ^*data from raw suppliers

N'-[6-(4-Chlorophenyl)-3,4,5-tricyano-2-pyridinyl]-N,N-dimethyliminoformamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C=NC1=C(C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)C#N)C#N

Technology Process of N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide

There total 2 articles about N'-[6-(4-chlorophenyl)-3,4,5-tricyanopyridin-2-yl]-N,N-dimethylmethanimidamide 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: 91.0%

2-Amino-6-(4-chlorophenyl)-3,4,5-tricyanopyridin (75232-09-6) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → N,N-Dimethyl-N'-<6-(4-chlorophenyl)-3,4,5-tricyano-2-pyridyl>-formamidin (75232-10-9)

Guidance literature:

at 80 ℃; for 0.5h;

DOI:10.1055/s-1980-29058

Reference yield:

3-(4-Chlorophenyl)-3-iminopropannitril (75232-07-4) → N,N-Dimethyl-N'-<6-(4-chlorophenyl)-3,4,5-tricyano-2-pyridyl>-formamidin (75232-10-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / acetic acid / 0.07 h / 70 °C

2: 91 percent / 0.5 h / 80 °C

In acetic acid;

DOI:10.1055/s-1980-29058

upstream raw materials:

2-Amino-6-(4-chlorophenyl)-3,4,5-tricyanopyridin

N,N-dimethyl-formamide dimethyl acetal

3-(4-Chlorophenyl)-3-iminopropannitril

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