2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde

Base Information

• Chemical Name: 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde
• CAS No.: 56139-74-3
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933990090
• European Community (EC) Number: 806-140-6
• DSSTox Substance ID: DTXSID50401982
• Nikkaji Number: J3.031.489A
• Wikidata: Q82205314

Synonyms:2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde;2,5-dimethyl-PDCHO

Chemical Property of 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde

Chemical Property:

• PSA: 49.93000
• LogP: 1.25650
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethyl-1H-pyrrole-3,4-dicarboxaldehyde for HPLC derivatization, ≥98.5% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 118554
• Hazard Codes: 118554

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(N1)C)C=O)C=O

Technology Process of 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde

There total 3 articles about 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde 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: 62.0%

2,5-Dimethylpyrrole (625-84-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde (56139-74-3)

Guidance literature:

With sodium hydroxide; trichlorophosphate; In 1,2-dichloro-ethane; 1.) r.t., 1 h; 50 deg C, 2 h, 2.) reflux, 15 min;

DOI:10.1039/P19960001235

Reference yield:

2,5-Dimethylpyrrole (625-84-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,5-dimethylpyrrole-3-carbaldehyde (2199-63-5) + 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde (56139-74-3)

Guidance literature:

With trichlorophosphate; Dimethylformamid ist im Ueberschuss; anschliessenden Behandeln mit Eis und Erwaermen des Reaktionsgemisches mit Natriumacetat;

Reference yield:

→ 2,5-dimethyl-1H-pyrrole-3,4-dicarbaldehyde (56139-74-3)

Guidance literature:

2,5-Dimethylpyrrol, Phenylglyoxal, Na-periodat;

upstream raw materials:

2,5-Dimethylpyrrole

N,N-dimethyl-formamide

Downstream raw materials:

C,C'-bis-(4-chloro-phenyl)-C,C'-(1,3-dimethyl-2H-thiepino[4,5-c]pyrrole-5,7-diyl)-bis-methanone

C,C'-diphenyl-C,C'-(1,3-dimethyl-2H-thiepino[4,5-c]pyrrole-5,7-diyl)-bis-methanone

C,C'-diphenyl-C,C'-(1,3-dimethyl-6,6-dioxo-2,6-dihydro-6λ⁶-thiepino[4,5-c]pyrrole-5,7-diyl)-bis-methanone

C,C'-bis-(4-methoxy-phenyl)-C,C'-(1,3-dimethyl-2H-thiepino[4,5-c]pyrrole-5,7-diyl)-bis-methanone

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