5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine

Base Information

• Chemical Name: 5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine
• CAS No.: 5909-30-8
• Molecular Formula: C₁₃H₁₅N₃OS
• Molecular Weight: 261.348
• DSSTox Substance ID: DTXSID60416683
• Wikidata: Q82226132

Synonyms:5909-30-8;AC1NSOJP;DTXSID60416683;SMSF0009536;AKOS000600391;CB00757;5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine

Chemical Property of 5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 444.14336975
• Heavy Atom Count: 33
• Complexity: 836

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)[N+](=O)[O-])C)C(=O)NC2=O
• Isomeric SMILES: CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)[N+](=O)[O-])C)/C(=O)NC2=O

Technology Process of 5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine

There total 1 articles about 5-[2,5-Dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-ylmethylene]-1-p-tolyl-pyrimidine 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:

→ 2-Amino-6-hydroxy-5-<3-mercapto-propyl>-4-phenyl-pyrimidin (5909-30-8)

Guidance literature:

α-Benzoyl-δ-thiol-valerolacton, Guanidin, sd. A., 12 h;

Reference yield:

2-Amino-6-hydroxy-5-<3-mercapto-propyl>-4-phenyl-pyrimidin (5909-30-8) → 4-phenyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-2-ylamine (5909-44-4)

Guidance literature:

With PPA;

Downstream raw materials:

4-phenyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-2-ylamine

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