2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile

Base Information

• Chemical Name: 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
• CAS No.: 157286-82-3
• Molecular Formula: C₁₆H₁₉N₃
• Molecular Weight: 253.347
• NSC Number: 715592
• DSSTox Substance ID: DTXSID201149689
• ChEMBL ID: CHEMBL2000495

Synonyms:157286-82-3;2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile;2-Amino-1-mesityl-4,5-dimethyl-1H-pyrrole-3-carbonitrile;2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carbonitrile;1H-Pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-;NSC715592;2-AMINO-4,5-DIMETHYL-1-(2,4,6-TRIMETHYL-PHENYL)-1H-PYRROLE-3-CARBONITRILE;SCHEMBL6783806;CHEMBL2000495;DTXSID201149689;MFCD05150359;AKOS005925071;NSC-715592;NCI60_039941;CS-0497978

Chemical Property of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.157897619
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2C(=C(C(=C2N)C#N)C)C)C

Technology Process of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile

There total 1 articles about 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile 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:

3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) + 2,4,6-trimethylaniline (88-05-1) + malononitrile (109-77-3) → 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carbonitrile (157286-82-3)

Guidance literature:

With toluene-4-sulfonic acid; In benzene;

Reference yield: 95.0%

[1,2-13C2]-acetyl chloride (89186-79-8) + 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carbonitrile (157286-82-3) → N-[3-cyano-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-2-yl][13C2]acetamide (515114-46-2)

Guidance literature:

With pyridine; In chloroform; at 0 - 20 ℃;

DOI:10.1002/jlcr.576

Reference yield:

acetone (67-64-1) + 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carbonitrile (157286-82-3) → C19H23N3

Guidance literature:

With 4 A molecular sieve;

upstream raw materials:

3-hydroxy-2-butanon

2,4,6-trimethylaniline

malononitrile

Downstream raw materials:

N-[3-cyano-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrol-2-yl][13C₂]acetamide

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