6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole

Base Information

• Chemical Name: 6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole
• CAS No.: 130599-24-5
• Molecular Formula: C₁₂H₁₁N₃
• Molecular Weight: 197.239
• DSSTox Substance ID: DTXSID90926826
• Nikkaji Number: J1.060.969K
• Wikidata: Q82901438
• Mol file: 130599-24-5.mol

Synonyms:130599-24-5;6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole;6-benzyl-5H-imidazo[1,2-b]pyrazole;6-benzyl-1h-imidazo[1,2-b]pyrazole;1H-Imidazo(1,2-b)pyrazole, 6-(phenylmethyl)-;DTXSID90926826;AKOS006278460;LS-80113;6-BENZYL-1H-PYRAZOLO[1,5-A]IMIDAZOLE

Chemical Property of 6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 5.24±0.30(Predicted)
• Flash Point: °C
• PSA: 33.09000
• Density: 1.22g/cm³
• LogP: 2.25320
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.095297364
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

6-(PHENYLMETHYL)-1H-IMIDAZO(1,2-B)PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC3=NC=CN3N2

Technology Process of 6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole

There total 3 articles about 6-(Phenylmethyl)-1H-imidazo(1,2-b)pyrazole 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:

3-oxo-4-phenylbutyronitrile (19212-27-2) → 6-benzyl-1H-imidazo[1,2-b]pyrazole (130599-24-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 0.5 h / Heating

2: 20 percent H₂SO₄ / ethanol / 0.33 h / Heating

With sulfuric acid; In ethanol;

DOI:10.1080/00397919908085772

Reference yield:

5-benzyl-2-(2,2-diethoxy-ethyl)-2H-pyrazol-3-ylamine (222056-50-0) → 6-benzyl-1H-imidazo[1,2-b]pyrazole (130599-24-5)

Guidance literature:

With sulfuric acid; In ethanol; for 0.333333h; Heating;

DOI:10.1080/00397919908085772

Reference yield:

Ethyl 2-phenylethanoate (101-97-3) → 6-benzyl-1H-imidazo[1,2-b]pyrazole (130599-24-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / toluene / 24 h / 90 °C

2: ethanol / 0.5 h / Heating

3: 20 percent H₂SO₄ / ethanol / 0.33 h / Heating

With sulfuric acid; sodium hydride; In ethanol; toluene;

DOI:10.1080/00397919908085772

upstream raw materials:

5-benzyl-2-(2,2-diethoxy-ethyl)-2H-pyrazol-3-ylamine

3-oxo-4-phenylbutyronitrile

Ethyl 2-phenylethanoate

Refernces