Ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate
• CAS No.: 6339-66-8
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• NSC Number: 38093
• DSSTox Substance ID: DTXSID50284636
• Wikidata: Q82019680

Synonyms:ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate;6339-66-8;NSC38093;SCHEMBL1079651;DTXSID50284636;DQOHQDBVDDNUPK-UHFFFAOYSA-N;5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester;NSC-38093;EN300-746387

Chemical Property of Ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.92E-05mmHg at 25°C
• Boiling Point: 362.5°Cat760mmHg
• Flash Point: 173°C
• Density: 1.207g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CNC(=C1C)C=O

Technology Process of Ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate

There total 7 articles about Ethyl 5-formyl-4-methyl-1h-pyrrole-3-carboxylate 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: 93.0%

ethyl 4-methylpyrrole-3-carboxylate (2199-49-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → ethyl 5-formyl-4-methyl-1H-pyrrole-3-carboxylate (6339-66-8)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 - 20 ℃; for 1h;

ethyl 4-methylpyrrole-3-carboxylate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

With water; sodium hydroxide; In N,N-dimethyl-formamide; at 60 ℃; for 2h; pH=7 - 8; Cooling with ice;

DOI:10.3390/molecules16119368

Reference yield:

ethyl 4-methylpyrrole-3-carboxylate (2199-49-7) → ethyl 5-formyl-4-methyl-1H-pyrrole-3-carboxylate (6339-66-8)

Guidance literature:

With hydrogenchloride; diethyl ether; dicyanozinc; Erwaermen des Reaktionsprodukts mit H₂O;

DOI:10.1021/ja01105a020

Reference yield:

ethyl 5-bromo-4-methyl-1H-pyrrole-3-carboxylate (874496-31-8) → ethyl 5-formyl-4-methyl-1H-pyrrole-3-carboxylate (6339-66-8) + 5-bromo-2-formyl-4-methyl-pyrrole-3-carboxylic acid ethyl ester (859067-05-3)

Guidance literature:

With diethyl ether; hydrogen cyanide; hydrogen bromide; Erwaermen des Reaktionsprodukts mit H₂O;

DOI:10.1021/ja01105a020

upstream raw materials:

ethyl 4-methylpyrrole-3-carboxylate

ethyl 5-bromo-4-methyl-1H-pyrrole-3-carboxylate

N,N-dimethyl-formamide

hydrogen cyanide

Downstream raw materials:

5-formyl-4-methyl-1H-pyrrole-3-carboxylic acid

(Z)-5-((2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-6-oxo-6,7-dihydropyrrolo[2,3-d]pyrimidin-5-ylidene)methyl)-4-methyl-1H-pyrrole-3-carboxylic acid

(Z)-2-chloro-N-(2-(ethylamino)ethyl)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-4-methyl-1H-pyrrole-3-carboxamide

ethyl 1-(3-(tert-butyl)-5-(1-methylcyclopropyl)phenyl)-5-formyl-4-methyl-1H-pyrrole-3-carboxylate

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