3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

Base Information

• Chemical Name: 3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• CAS No.: 876708-23-5
• Molecular Formula: C₁₁H₁₂N₄
• Molecular Weight: 200.243
• DSSTox Substance ID: DTXSID40424322
• Mol file: 876708-23-5.mol

Synonyms:876708-23-5;3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine;4-PYRIDIN-3-YL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE;4-Pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;4-(pyridin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;MFCD09749723;4-(3-pyridinyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine;4-Pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo-[4,5-c]pyridine;SCHEMBL11518030;DTXSID40424322;HMS3468F16;BBL010413;STK801592;AKOS000300890;AKOS004938979;AKOS016050188;AKOS025395007;VS-02485;CS-0237701;EN300-186512;4-(Pyridin-3-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

Chemical Property of 3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

Chemical Property:

• Vapor Pressure: 5.5E-09mmHg at 25°C
• Melting Point: 171-173 °C(Solv: water (7732-18-5))
• Boiling Point: 469.5°C at 760 mmHg
• PKA: 13.86±0.40(Predicted)
• Flash Point: 237.7°C
• Density: 1.241g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.106196400
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

4-(Pyridin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(C2=C1NC=N2)C3=CN=CC=C3

Technology Process of 3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

There total 2 articles about 3-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}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: 73.0%

3-pyridinecarboxaldehyde (500-22-1) + histamine dichloride (56-92-8) → 4-(3-pyridyl)spinaceamine (876708-23-5)

Guidance literature:

With sodium hydroxide; In ethanol; water; Heating;

DOI:10.1134/S1070428009080181

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) + histamine dichloride (56-92-8) → 4-(3-pyridyl)spinaceamine (876708-23-5) + 4-(3-pyridyl)-5-(N-methylthiocarbamoyl)-4,5,6,7-tetrahydroimidazo-[4,5-c]-pyridine

Guidance literature:

Reference yield: 51.0%

4-(3-pyridyl)spinaceamine (876708-23-5) → 4-(3-pyridyl)imidazo[4,5-c]pyridine (1201171-78-9)

Guidance literature:

With octasulfur; In N,N-dimethyl-formamide; at 120 - 130 ℃;

DOI:10.1134/S1070428009080181

upstream raw materials:

3-pyridinecarboxaldehyde

histamine dichloride

Downstream raw materials:

4-(3-pyridyl)imidazo[4,5-c]pyridine

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