3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Base Information

• Chemical Name: 3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• CAS No.: 87642-29-3
• Molecular Formula: C12H13N3
• Molecular Weight: 272.177
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00424686
• Wikidata: Q82237360
• ChEMBL ID: CHEMBL1196112
• Mol file: 87642-29-3.mol

Synonyms:3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;87642-29-3;3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine;MFCD07403541;CHEMBL1196112;SCHEMBL10818201;DTXSID00424686;TZFHJMGEXWVRKQ-UHFFFAOYSA-N;AKOS000674611;AB41924;LS-05236;SY308780;CS-0205418;FT-0648974;EN300-220372;F2198-7372;3-phenyl-4,5,6,7-tetrahydro-1H-pyra zolo[4,3-c]pyridine;3-PHENYL-4 pound not5 pound not6 pound not7-TETRAHYDRO-1H-PYRAZOLO[4 pound not3-C]PYRIDINE

Chemical Property of 3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• Boiling Point: 461.4oC at 760 mmHg
• PKA: 14.63±0.20(Predicted)
• Flash Point: 232.8oC
• PSA: 40.71000
• Density: 1.178g/cm3
• LogP: 2.05120
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.110947427
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1NN=C2C3=CC=CC=C3

Technology Process of 3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

There total 4 articles about 3-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 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: 78.0%

1-(3-Phenyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone (87628-26-0) → 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride (87642-29-3,1177360-76-7)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1021/jm00145a015

Reference yield:

1-acetyl-4-piperidinone (32161-06-1) → 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride (87642-29-3,1177360-76-7)

Guidance literature:

Multi-step reaction with 4 steps

1: p-toluenesulfonic acid / benzene / 8 h / Heating

2: triethylamine / CH₂Cl₂ / 20 h / Ambient temperature

3: 98percent hydrazine hydrate / aq. ethanol / 3 h / Ambient temperature

4: 78 percent / 10percent aq.HCl / 2 h / Heating

With hydrogenchloride; toluene-4-sulfonic acid; hydrazine hydrate; triethylamine; In ethanol; dichloromethane; benzene;

DOI:10.1021/jm00145a015

Reference yield:

1-(4-(morpholin-4-yl)-3,6-dihydro-2H-pyridin-1-yl)ethanone (55459-60-4) → 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride (87642-29-3,1177360-76-7)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / CH₂Cl₂ / 20 h / Ambient temperature

2: 98percent hydrazine hydrate / aq. ethanol / 3 h / Ambient temperature

3: 78 percent / 10percent aq.HCl / 2 h / Heating

With hydrogenchloride; hydrazine hydrate; triethylamine; In ethanol; dichloromethane;

DOI:10.1021/jm00145a015

upstream raw materials:

1-(3-Phenyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone

1-acetyl-4-piperidinone

1-(4-(morpholin-4-yl)-3,6-dihydro-2H-pyridin-1-yl)ethanone

1-Acetyl-3-benzoyl-piperidin-4-one

Downstream raw materials:

7-methoxy-3-{1-[6-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-carbonyl)-pyrimidin-4-yl]-piperidin-4-yl}-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

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