2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

Base Information

• Chemical Name: 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
• CAS No.: 929973-74-0
• Molecular Formula: C12H13N3
• Molecular Weight: 199.255
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40585548
• Wikidata: Q82477526
• Mol file: 929973-74-0.mol

Synonyms:2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine;929973-74-0;2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine;SCHEMBL2178294;DTXSID40585548;WYAIJTGPEFAROM-UHFFFAOYSA-N;AKOS016002896;MB06898;EN300-57833;D86168;2-Phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, AldrichCPR

Chemical Property of 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 358.41°C at 760 mmHg
• Flash Point: 170.56°C
• PSA: 29.85000
• Density: 1.242g/cm³
• LogP: 1.84680
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.110947427
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-4,5,6,7-tetrahydro-2H-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=CN(N=C21)C3=CC=CC=C3

Technology Process of 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine

There total 3 articles about 2-phenyl-4,5,6,7-tetrahydro-2H-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: 100.0%

tert-butyl 2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate (1310796-20-3) → 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine (929973-74-0)

Guidance literature:

tert-butyl 2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate; With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 20 ℃; for 5h;

With sodium hydroxide; In water;

DOI:10.1021/acs.jmedchem.7b01171

Reference yield:

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine (929973-74-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 4 h / Reflux

2: ethanol / 6 h / 80 °C

3: hydrogenchloride / dichloromethane; 1,4-dioxane / 5 h / 20 °C

With hydrogenchloride; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.7b01171

Reference yield:

3-dimethylaminomethylene-4-oxo-piperidine-1-carboxylic acid tert-butyl ester (1202645-17-7) → 2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine (929973-74-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 6 h / 80 °C

2: hydrogenchloride / dichloromethane; 1,4-dioxane / 5 h / 20 °C

With hydrogenchloride; In 1,4-dioxane; ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.7b01171

upstream raw materials:

3-dimethylaminomethylene-4-oxo-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

2-phenyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine

(E)-4-(5-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acryloyl)-2-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-4-carboxamido)benzoic acid

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