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

Base Information

• Chemical Name: 3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde
• CAS No.: 51952-99-9
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.16
• European Community (EC) Number: 661-462-2
• Nikkaji Number: J966.892F
• ChEMBL ID: CHEMBL48293
• Mol file: 51952-99-9.mol

Synonyms:3,4-dimethyl-1H-pyrrole-2,5-dicarbaldehyde;CHEMBL48293;51952-99-9;SCHEMBL2491769;BDBM50486983;AKOS024341030;2,5-diformyl-3,4-dimethyl-1h-pyrrole;3,4-dimethyl-2,5-pyrroledicarboxaldehyde

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

Chemical Property:

• PSA: 49.93000
• LogP: 1.25650
• XLogP3: 1
• 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

3,4-DIMETHYL-1H-PYRROLE-2,5-DICARBOXALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=C1C)C=O)C=O

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

There total 23 articles about 3,4-dimethyl-1H-pyrrole-2,5-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: 72.0%

3,4-dimethyl-1H-pyrrole-2-carboxylic acid (89776-55-6) + orthoformic acid triethyl ester (122-51-0) → 3,4-dimethylpyrrole-2,5-dicarbaldehyde (51952-99-9)

Guidance literature:

3,4-dimethyl-1H-pyrrole-2-carboxylic acid; In trifluoroacetic acid; for 0.0833333h; Inert atmosphere; Darkness; Cooling with ice;

orthoformic acid triethyl ester; In trifluoroacetic acid; at -5 - 10 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo500580e

Reference yield: 70.0%

2,5-bis(1,3-benzodithiol-2-yl)-3,4-dimethylpyrrole (153850-71-6) → 3,4-dimethylpyrrole-2,5-dicarbaldehyde (51952-99-9)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In dimethyl sulfoxide; 0 deg C -> room temperature, 1.5 h;

DOI:10.1039/P19930002939

Reference yield: 30.0%

4,5-dimethyl-6H-pyrrolo[1,2-c][1,2,3]triazole (64804-01-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,4-dimethylpyrrole-2,5-dicarbaldehyde (51952-99-9)

Guidance literature:

With oxalyl dichloride; In dichloromethane; for 14h;

DOI:10.1021/jo00289a034

upstream raw materials:

2-(2-cyano-2-(methoxycarbonyl)vinyl)-5-formyl-3,4-dimethyl-1H-pyrrole

3,4,5-trimethyl-1H-pyrrole-2-carbaldehyde

4,5-dimethyl-6H-pyrrolo[1,2-c][1,2,3]triazole

N,N-dimethyl-formamide