1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
• CAS No.: 138222-73-8
• Molecular Formula: C13H11Cl2NO
• Molecular Weight: 268.1385
• DSSTox Substance ID: DTXSID10382905
• Nikkaji Number: J418.928K
• Wikidata: Q82174377
• Mol file: 138222-73-8.mol

Synonyms:138222-73-8;1-(2,4-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE;1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde;1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-;DTXSID10382905;AKOS000113638;SB62935;CS-0118059

Chemical Property of 1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.66E-06mmHg at 25°C
• Boiling Point: 396.9°Cat760mmHg
• Flash Point: 193.8°C
• PSA: 22.00000
• Density: 1.27g/cm³
• LogP: 4.21340
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 267.0217694
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

There total 3 articles about 1-(2,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde 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:

2,4-Dichloroaniline (554-00-7,51908-09-9) → 1-(2,4-dichlorophenyl)-2,5-dimethyl-3-formylpyrrole (138222-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / 100 °C

2: 1) POCl₃ / 1) 15 min, r.t., 2) 3 h, 100 deg C

With trichlorophosphate;

Reference yield:

2,5-hexanedione (110-13-4) → 1-(2,4-dichlorophenyl)-2,5-dimethyl-3-formylpyrrole (138222-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / 100 °C

2: 1) POCl₃ / 1) 15 min, r.t., 2) 3 h, 100 deg C

With trichlorophosphate;

Reference yield:

1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrole (83935-42-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(2,4-dichlorophenyl)-2,5-dimethyl-3-formylpyrrole (138222-73-8)

Guidance literature:

With trichlorophosphate; Yield given. Multistep reaction; 1) 15 min, r.t., 2) 3 h, 100 deg C;

upstream raw materials:

1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrole

N,N-dimethyl-formamide

2,4-Dichloroaniline

2,5-hexanedione

Downstream raw materials:

[1-[1-(2,4-Dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-meth-(E)-ylidene]-phenyl-amine

[1-(2,4-Dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethyl]-phenyl-amine

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