2,5-dimethyl-1,3-diphenyl-1H-pyrrole

Base Information

• Chemical Name: 2,5-dimethyl-1,3-diphenyl-1H-pyrrole
• CAS No.: 13712-55-5
• Molecular Formula: C18H17N
• Molecular Weight: 247.34
• DSSTox Substance ID: DTXSID80555346
• Nikkaji Number: J1.927.043B
• Wikidata: Q82436666
• Mol file: 13712-55-5.mol

Synonyms:2,5-dimethyl-1,3-diphenyl-1H-pyrrole;2,5-dimethyl-1,3-diphenylpyrrole;13712-55-5;DTXSID80555346

Chemical Property of 2,5-dimethyl-1,3-diphenyl-1H-pyrrole

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 247.136099547
• Heavy Atom Count: 19
• Complexity: 275

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C3=CC=CC=C3

Technology Process of 2,5-dimethyl-1,3-diphenyl-1H-pyrrole

There total 13 articles about 2,5-dimethyl-1,3-diphenyl-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: 86.0%

2-(Trimethylsilyloxy)propene (1833-53-0) + 1-phenylprop-2-ynyl acetate (16169-88-3,84681-19-6,116119-86-9,116182-55-9) + aniline (62-53-3) → 2,5-Dimethyl-1,3-diphenylpyrrole (13712-55-5)

Guidance literature:

2-(Trimethylsilyloxy)propene; 1-phenylprop-2-ynyl acetate; With zinc(II) chloride; In chlorobenzene; at 75 ℃; for 0.3h;

aniline; In chlorobenzene; for 1.5h; Reflux;

DOI:10.1039/c003885g

Reference yield: 80.0%

3-phenylhexane-2,5-dione (25234-74-6) + aniline (62-53-3) → 2,5-Dimethyl-1,3-diphenylpyrrole (13712-55-5)

Guidance literature:

In water; at 100 ℃; for 6h; Sealed tube;

DOI:10.1021/acs.joc.1c01100

Reference yield: 77.0%

aniline (62-53-3) + 4-phenyl-5-hexyn-2-one (339987-27-8) → 2,5-Dimethyl-1,3-diphenylpyrrole (13712-55-5)

Guidance literature:

With platinum(II) chloride; In 1,2-dichloro-ethane; at 60 ℃; for 100h;

DOI:10.1002/anie.200351170

upstream raw materials:

N-((E)-4-phenylbut-3-en-2-ylidene)aniline

methyllithium

3-phenylhexane-2,5-dione

aniline