1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)

Base Information

• Chemical Name: 1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)
• CAS No.: 714273-88-8
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.195
• Hs Code.: 2933290090
• Mol file: 714273-88-8.mol

Synonyms:1H-Imidazole-4-carboxylicacid, 5-(1,1-dimethylethyl)- (9CI)

Chemical Property of 1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)

Chemical Property:

• Boiling Point: 390.0±30.0 °C(Predicted)
• PKA: 2.02±0.10(Predicted)
• PSA: 65.98000
• Density: 1.199±0.06 g/cm3(Predicted)
• LogP: 1.40540

Purity/Quality:

97% ^*data from raw suppliers

5-tert-Butyl-1H-imidazole-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)

There total 2 articles about 1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI) 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: 26.0%

2-chloro-4,4-dimethyl-3-oxopentanoic acid ethyl ester (29509-07-7) + formamide (77287-34-4,77287-35-5,60100-09-6) → ethyl 4-(tert-butyl)-1H-imidazole-5-carboxylate (51721-21-2) + 5-(tert-butyl)oxazole-4-carboxylic acid ethyl ester (714273-89-9) + 5-tert-butyl-3H-imidazole-4-carboxylic acid (714273-88-8)

Guidance literature:

In water; at 150 ℃; for 3.5h;

Reference yield:

ethyl pivaloylacetate (17094-34-7) → 5-(tert-butyl)oxazole-4-carboxylic acid ethyl ester (714273-89-9) + 5-tert-butyl-3H-imidazole-4-carboxylic acid (714273-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuryl dichloride / chloroform / 3 h / 0 - 20 °C / Heating / reflux

2: water / 3.5 h / 150 °C

With sulfuryl dichloride; In chloroform; water;

upstream raw materials:

2-chloro-4,4-dimethyl-3-oxopentanoic acid ethyl ester

formamide

ethyl pivaloylacetate

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