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

Base Information

• Chemical Name: 4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
• CAS No.: 4875-39-2
• Molecular Formula: C₁₂H₁₃N₃
• Molecular Weight: 199.255
• Hs Code.: 2933990090
• European Community (EC) Number: 870-413-6
• NSC Number: 83345
• DSSTox Substance ID: DTXSID50292519
• ChEMBL ID: CHEMBL1338850
• Mol file: 4875-39-2.mol

Synonyms:4875-39-2;4-phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;4-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;MLS000737115;MFCD04971923;4-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine;NSC83345;4-phenyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine;Bionet2_000482;NCIOpen2_001171;Oprea1_531493;F1925-0001;SCHEMBL3441643;CHEMBL1338850;DTXSID50292519;HMS1365F20;HMS1655D15;HMS2884N23;BBL030312;NSC-83345;STK500384;AKOS000266455;AKOS005199295;AKOS016050456;SDCCGMLS-0065679.P001;SMR000528379;BB 0256983;EN300-186524;1R-0681;4-phenyl-4,5,6,7-tetrahydro-imidazo-[4,5-c]-pyridine;Z2372278534;4-Phenyl-4,5,6,7-tetrahydro-3H-imidazo-[4,5-c]pyridine;1H-Imidazo[4,5-c]pyridine, 4,5,6,7-tetrahydro-4-phenyl-;4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine #

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

Chemical Property:

• Vapor Pressure: 7.74E-08mmHg at 25°C
• Boiling Point: 437°Cat760mmHg
• PKA: 14.30±0.40(Predicted)
• Flash Point: 218.1°C
• PSA: 40.71000
• Density: 1.185g/cm³
• LogP: 1.97360
• XLogP3: 1.2
• 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

4-phenyl-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=CC=CC=C3

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

There total 3 articles about 4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-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: 66.0%

histamine dihydrochloride (55-36-7,56-92-8,23758-34-1,78654-37-2) + benzaldehyde (100-52-7) → 4-phenyl-4,5,6,7-tetrahydroimidazo<4,5-c>pyridine (4875-39-2,62002-37-3,62002-38-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 80 ℃;

DOI:10.1016/j.bmc.2019.01.017

Reference yield:

→ 4-phenylspinaceamine (4875-39-2,62002-37-3,62002-38-4)

Guidance literature:

Histamin-Dihydrochlorid, Benzaldehyd, KOH, wss.A.;

DOI:10.1021/jo01345a071

Reference yield:

→ 4-phenyl-4,5,6,7-tetrahydroimidazo<4,5-c>pyridine (4875-39-2,62002-37-3,62002-38-4)

Guidance literature:

Histamin, Benzaldehyd;

upstream raw materials:

histamine dihydrochloride

benzaldehyde

Downstream raw materials:

1-Benzyl-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-5-one

4-methoxy-N,2,6-trimethyl-N-[2-[2-oxo-2-(4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-yl)-ethoxy]-ethyl]-benzenesulfonic acid amide

4-Phenyl-5-(N-methyl-carbamoyl)-4,5,6,7-tetrahydro-imidazo-[4,5-c]-pyridine

5-benzylhistamine