1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole

Base Information

• Chemical Name: 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole
• CAS No.: 560995-32-6
• Molecular Formula: C₁₃H₁₄ClN
• Molecular Weight: 219.714
• European Community (EC) Number: 872-722-1
• DSSTox Substance ID: DTXSID101324537
• ChEMBL ID: CHEMBL1424014
• Mol file: 560995-32-6.mol

Synonyms:1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole;560995-32-6;1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole;1-(2-Chloro-benzyl)-2,5-dimethyl-1H-pyrrole;MLS000517083;CHEMBL1424014;DTXSID101324537;HMS2666O11;AKOS000117529;SMR000343225;EN300-06400;SR-01000044401;SR-01000044401-1;Z55669293

Chemical Property of 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 219.0814771
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(N1CC2=CC=CC=C2Cl)C

Technology Process of 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole

There total 1 articles about 1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole 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: 78.0%

2,5-hexanedione (110-13-4) + 2-CHLOROBENZYLAMINE (89-97-4) → 1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrole (560995-32-6)

Guidance literature:

With sulfuric acid-supported silica-coated maghemite γ-Fe₂O₃ nanoparticles; In neat (no solvent); at 60 ℃; for 12h; Green chemistry;

DOI:10.1007/s10562-014-1197-5

Reference yield: 68.0%

1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrole (560995-32-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(2-chlorobenzyl)-2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde

Guidance literature:

With trichlorophosphate; In neat (no solvent); at 0 - 100 ℃;

DOI:10.1007/s00044-016-1517-y

upstream raw materials:

2,5-hexanedione

2-CHLOROBENZYLAMINE