ASISCHEM R22740

Base Information

• Chemical Name: ASISCHEM R22740
• CAS No.: 423744-09-6
• Molecular Formula: C₁₃H₁₂N₂O₃
• Molecular Weight: 244.25
• Mol file: 423744-09-6.mol

Synonyms:ASISCHEM R22740;1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-(4-NITROPHENYL)-;2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE;2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROLE-3-CARBOXALDEHYDE

Chemical Property of ASISCHEM R22740

Chemical Property:

• PSA: 67.82000
• LogP: 3.33800

Purity/Quality:

99% ^*data from raw suppliers

2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ASISCHEM R22740

There total 3 articles about ASISCHEM R22740 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: 73.0%

2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole (5044-22-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde (423744-09-6)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.333333h; Inert atmosphere;

2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.3390/molecules25071668

Reference yield:

4-nitro-aniline (100-01-6,104810-17-5) → 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde (423744-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 0.75 h / 110 - 115 °C

2: trichlorophosphate / neat (no solvent) / 0 - 100 °C

With acetic acid; trichlorophosphate; In neat (no solvent); 1: |Paal-Knorr Pyrrole Synthesis / 2: |Vilsmeier-Haack Formylation;

DOI:10.1007/s00044-016-1517-y

Reference yield:

2,5-hexanedione (110-13-4) → 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole-3-carbaldehyde (423744-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 0.75 h / 110 - 115 °C

2: trichlorophosphate / neat (no solvent) / 0 - 100 °C

With acetic acid; trichlorophosphate; In neat (no solvent); 1: |Paal-Knorr Pyrrole Synthesis / 2: |Vilsmeier-Haack Formylation;

DOI:10.1007/s00044-016-1517-y

upstream raw materials:

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

N,N-dimethyl-formamide

4-nitro-aniline

2,5-hexanedione

Refernces

• 1、 Joshi, Shrinivas D.,Kumar, Devendra,More, Uttam A.,Yang, Kap Seung,Aminabhavi, Tejraj M.. "Design and development of pyrrole carbaldehyde: An effective pharmacophore for enoyl-ACP reductase". . p. 672 - 689. Retrieved 2016/03/08.