Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate
• CAS No.: 238749-51-4
• Molecular Formula: C₉H₁₁N₃O₂
• Molecular Weight: 193.205
• European Community (EC) Number: 891-455-1
• DSSTox Substance ID: DTXSID501173271

Synonyms:238749-51-4;ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate;SCHEMBL7508616;DTXSID501173271;DB-307893;EN300-5203663;ethyl 1-methyl-1H,4H-pyrrolo[2,3-d]imidazole-5-carboxylate

Chemical Property of Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.085126602
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ，98% ^*data from raw suppliers

1,4-dihydro-1-methyl-Pyrrolo[2,3-d]imidazole-5-carboxylicacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(N1)N=CN2C

Technology Process of Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate

There total 6 articles about Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-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: 97.0%

ethyl (Z)-2-azido-3-(3-methylimidazol-4-yl)prop-2-enoate → ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate (238749-51-4)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 0.5h; Reflux;

DOI:10.1021/acs.jmedchem.6b01018

Reference yield: 39.0%

ethyl α-azido-β-(1-methylimidazole-5-yl)acrylate (753025-10-4) → ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate (238749-51-4)

Guidance literature:

In xylene; for 2h; Heating;

Reference yield: 24.0%

→ ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate (238749-51-4)

Guidance literature:

upstream raw materials:

ethyl α-azido-β-(1-methylimidazole-5-yl)acrylate

1-methylimidazole-5-carbaldehyde

(1-methyl-1H-imidazol-5-yl)methanol

5-hydroxymethyl-2-mercapto-1-methyl-1H-imidazole

Downstream raw materials:

ethyl-1-methyl-4-(benzenesulfonyl)pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl-1-methyl-4-(4-methyl benzenesulfonyl)pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl-1-methyl-4-(4-methoxy benzenesulfonyl)pyrrolo[2,3-d]imidazole-5-carboxylate

ethyl-1-methyl-4-(4-bromo benzenesulfonyl)pyrrolo[2,3-d]imidazole-5-carboxylate

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