Ethyl 1H-imidazo[1,2-b]pyrazole-6-carboxylate

Base Information

• Chemical Name: Ethyl 1H-imidazo[1,2-b]pyrazole-6-carboxylate
• CAS No.: 159181-77-8
• Molecular Formula: C₈H₉N₃O₂
• Molecular Weight: 179.178
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80438504
• Wikidata: Q82254267
• Mol file: 159181-77-8.mol

Synonyms:Ethyl 1H-imidazo[1,2-b]pyrazole-6-carboxylate;159181-77-8;ethyl 5H-imidazo[1,2-b]pyrazole-6-carboxylate;DTXSID80438504;AKOS006315234;AB64376;Ethyl1H-imidazo[1,2-b]pyrazole-6-carboxylate

Chemical Property of Ethyl 1H-imidazo[1,2-b]pyrazole-6-carboxylate

Chemical Property:

• PKA: 3.95±0.30(Predicted)
• PSA: 59.39000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 0.83910
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.069476538
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl1H-imidazo[1,2-b]pyrazole-6-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=NC=CN2N1

Technology Process of Ethyl 1H-imidazo[1,2-b]pyrazole-6-carboxylate

There total 2 articles about Ethyl 1H-imidazo[1,2-b]pyrazole-6-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:

Sodium; (Z)-1-cyano-2-ethoxycarbonyl-ethenolate → ethyl imidazo<1,2-b>pyrazole-6-carboxylate (159181-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / 20 percent H₂SO₄ / H₂O; CHCl₃ / 72 h / Ambient temperature

2: 43.5 percent / HCl*Et₂O / tetrahydrofuran / 2 h / Ambient temperature

With sulfuric acid; hydrochloric acid diethyl ether; In tetrahydrofuran; chloroform; water;

DOI:10.1080/00397919908085772

Reference yield:

3-cyano-2-oxo-propanoic acid ethyl ester (56290-86-9) → ethyl imidazo<1,2-b>pyrazole-6-carboxylate (159181-77-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / aq. H₂SO₄ / CHCl₃ / 72 h / Ambient temperature

2: 43 percent / HCl / diethyl ether; tetrahydrofuran / 2 h / Ambient temperature

With hydrogenchloride; sulfuric acid; In tetrahydrofuran; diethyl ether; chloroform;

DOI:10.1002/jhet.5570310408

Reference yield: 58.5%

ethyl imidazo<1,2-b>pyrazole-6-carboxylate (159181-77-8) → 6-carboxy-1H-imidazo<1,2-b>pyrazole (159181-78-9)

Guidance literature:

With sodium hydroxide; for 1h; Ambient temperature;

DOI:10.1002/jhet.5570310408

upstream raw materials:

3-cyano-2-oxo-propanoic acid ethyl ester

Downstream raw materials:

6-carboxy-1H-imidazo<1,2-b>pyrazole

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