1-Methyl-1H-pyrrole-2,3-dicarbaldehyde

Base Information

• Chemical Name: 1-Methyl-1H-pyrrole-2,3-dicarbaldehyde
• CAS No.: 51788-26-2
• Molecular Formula: C₇H₇NO₂
• Molecular Weight: 137.138
• DSSTox Substance ID: DTXSID00496444
• Wikidata: Q82345300
• Mol file: 51788-26-2.mol

Synonyms:1-Methyl-1H-pyrrole-2,3-dicarbaldehyde;51788-26-2;1-methylpyrrole-2,3-dicarbaldehyde;1-methyl-2,3-diformylpyrrole;DTXSID00496444

Chemical Property of 1-Methyl-1H-pyrrole-2,3-dicarbaldehyde

Chemical Property:

• PSA: 39.07000
• LogP: 0.65010
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

1-methyl-1H-Pyrrole-2,3-dicarboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=C1C=O)C=O

Technology Process of 1-Methyl-1H-pyrrole-2,3-dicarbaldehyde

There total 2 articles about 1-Methyl-1H-pyrrole-2,3-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:

1-methyl-3-(5,5-dimethyl-1,3-dioxan-2-yl)-pyrrole (81697-88-3) → 1-methyl-1H-pyrrole-3,4-dicarboxaldehyde (51110-65-7) + 1-methylpyrrole-2,4-dicarboxaldehyde (36929-62-1) + N-methylpyrrole-2,3-dicarboxaldehyde (51788-26-2)

Guidance literature:

Multistep reaction;

DOI:10.1139/v82-060

Reference yield:

→ N-methylpyrrole-2,3-dicarboxaldehyde (51788-26-2)

Guidance literature:

3-Methoxycarbonyl-2-formyl-1-methylpyrrol (I), 1. Acetalisierung 2. , LiAlH4 3. , saure Hydrolyse 4. , Ag2CO3, Oxid.;

Reference yield: 25.0%

diphenacyl sulfide (2461-80-5) + N-methylpyrrole-2,3-dicarboxaldehyde (51788-26-2) → methyl-1 dibenzoyl-5,6 1H-indole (66572-14-3)

Guidance literature:

With morpholine; In methanol; for 12h; Ambient temperature;

upstream raw materials:

1-methyl-3-(5,5-dimethyl-1,3-dioxan-2-yl)-pyrrole

Downstream raw materials:

methyl-1 dibenzoyl-5,6 1H-indole

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