4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
• CAS No.: 2199-53-3
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.208
• NSC Number: 22700
• DSSTox Substance ID: DTXSID00176416
• Nikkaji Number: J1.747.106F
• Wikidata: Q83046749
• Mol file: 2199-53-3.mol

Synonyms:4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;2199-53-3;NSC22700;SCHEMBL6082830;DTXSID00176416;NSC 22700;NSC-22700;3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrole;1H-Pyrrole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester

Chemical Property of 4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.000516mmHg at 25°C
• Boiling Point: 312.8°Cat760mmHg
• Flash Point: 143°C
• Density: 1.08g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

There total 2 articles about 4,5-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester 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:

→ ethyl-2,3-dimethylpyrrole-4-carboxylate (2199-53-3)

Guidance literature:

at 225 ℃;

Reference yield:

→ ethyl-2,3-dimethylpyrrole-4-carboxylate (2199-53-3)

Guidance literature:

Ethyl-α-cyano-β-methylaevulinat, H2/Raney-Ni;

Reference yield:

ethyl-2,3-dimethylpyrrole-4-carboxylate (2199-53-3) → 2,3-Dimethyl-4-ethoxycarbonyl-4-formyl-pyrrol (10591-23-8)

Guidance literature:

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

DOI:10.1021/ja01651a012

Downstream raw materials:

2,3-Dimethyl-4-ethoxycarbonyl-4-formyl-pyrrol

benzyl 4-(2-acetoxyethyl)-3'-ethoxycarbonyl-3,4',5'-trimethyl-2,2'-methylenedipyrrole-5-carboxylate

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