1-ethyl-1H-imidazole-4-carbaldehyde

Base Information

• Chemical Name: 1-ethyl-1H-imidazole-4-carbaldehyde
• CAS No.: 88091-37-6
• Molecular Formula: C₆H₈N₂O
• Molecular Weight: 124.142
• DSSTox Substance ID: DTXSID90542585
• Nikkaji Number: J637.163I
• Wikidata: Q82419302

Synonyms:1-ethyl-1H-imidazole-4-carbaldehyde;88091-37-6;1-ETHYLIMIDAZOLE-4-CARBALDEHYDE;MFCD20485140;1H-Imidazole-4-carboxaldehyde, 1-ethyl-;SCHEMBL2428021;DTXSID90542585;TQP1180;NRRFNLUQOIHVKN-UHFFFAOYSA-N;AKOS022633086;AT15572;BS-51720;SY316523;CS-0197470;EN300-369833;Z1486030409

Chemical Property of 1-ethyl-1H-imidazole-4-carbaldehyde

Chemical Property:

• PSA: 34.89000
• LogP: 0.71550
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

1-ethyl-1H-imidazole-4-carbaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C=C(N=C1)C=O

Technology Process of 1-ethyl-1H-imidazole-4-carbaldehyde

There total 5 articles about 1-ethyl-1H-imidazole-4-carbaldehyde 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: 85.0%

trifluoromethanesulfonic acid ethyl ester (425-75-2) + 1-[2-(trimethylsilyl)ethoxymethyl]imidazole-5-carboxaldehyde (118004-64-1) → 1-ethyl-4-formylimidazole (88091-37-6)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.3987/COM-94-6926

Reference yield:

diethyl sulfate (64-67-5) + 4(5)formylimidazole (3034-50-2) → 1-ethyl-1H-imidazole-5-carbaldehyde (842972-42-3) + 1-ethyl-4-formylimidazole (88091-37-6)

Guidance literature:

In acetone; for 18h; Reflux;

DOI:10.1007/s11172-017-1722-y

Reference yield:

5-imidazolecarboxaldehyde (3034-50-2) + ethyl iodide (75-03-6) → 1-ethyl-4-formylimidazole (88091-37-6)

Guidance literature:

With 1,5,7-triazabicyclo[4.4.0]dec-5-ene supported polystyrene; In N,N-dimethyl-formamide; at 20 ℃; Combinatorial reaction / High throughput screening (HTS);

DOI:10.2174/138620711796367229

upstream raw materials:

trifluoromethanesulfonic acid ethyl ester

1-[2-(trimethylsilyl)ethoxymethyl]imidazole-5-carboxaldehyde

5-imidazolecarboxaldehyde

ethyl iodide

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