4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine

Base Information

• Chemical Name: 4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine
• CAS No.: 87034-78-4
• Molecular Formula: C₇H₆ClN₃
• Molecular Weight: 167.598
• Hs Code.: 2933990090
• European Community (EC) Number: 829-190-0
• DSSTox Substance ID: DTXSID80603619
• Wikidata: Q82501078
• Mol file: 87034-78-4.mol

Synonyms:4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine;87034-78-4;4-CHLORO-3-METHYLIMIDAZO[4,5-C]PYRIDINE;4-chloro-3-methyl-3H-imidazo(4,5-c)pyridine;YSCK0373;SCHEMBL10741783;DTXSID80603619;VHLMQGSRUSNLIQ-UHFFFAOYSA-N;MFCD26743554;AKOS016000848;AS-43587;DA-19716;CS-0212769;EN300-364281

Chemical Property of 4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine

Chemical Property:

• Boiling Point: 331.8±45.0 °C(Predicted)
• PKA: 4.42±0.30(Predicted)
• PSA: 30.71000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 1.62170
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0250249
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%min. ^*data from raw suppliers

4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1C(=NC=C2)Cl

Technology Process of 4-Chloro-3-methyl-3H-imidazo[4,5-c]pyridine

There total 4 articles about 4-Chloro-3-methyl-3H-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: 77.0%

4-chloro-1H-imidazo[4,5-c]pyridine (2770-01-6) + methyl iodide (74-88-4) → 4-chloro-3-methyl-3H-imidazo[4,5-c]pyridine (87034-78-4)

Guidance literature:

4-chloro-1H-imidazo[4,5-c]pyridine; With 2,2,6,6-tetramethylpiperidinylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02994

Reference yield: 32.0%

4-chloro-1H-imidazo[4,5-c]pyridine (2770-01-6) + methyl iodide (74-88-4) → 4-chloro-1-methyl-1H-imidazo(4,5-c)pyridine (50432-68-3) + 4-chloro-3-methyl-3H-imidazo[4,5-c]pyridine (87034-78-4)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; dimethyl sulfoxide; at 20 ℃; for 3h; Solvent;

DOI:10.1021/acs.joc.8b00540

Reference yield: 27.4%

4-chloro-1H-imidazo[4,5-c]pyridine (2770-01-6) + dimethyl sulfate (77-78-1) → 4-chloro-1-methyl-1H-imidazo(4,5-c)pyridine (50432-68-3) + 4-chloro-3-methyl-3H-imidazo[4,5-c]pyridine (87034-78-4)

Guidance literature:

With sodium methylate; In N,N-dimethyl-formamide; at 50 ℃; for 4h;

DOI:10.1248/cpb.31.4130

upstream raw materials:

4-chloro-1H-imidazo[4,5-c]pyridine

dimethyl sulfate

methyl iodide

4-chloro-3H-imidazo[4,5-c]pyridine

Downstream raw materials:

4-o-fluorobenzylamino-3-methyl-3H-imidazo-(4,5-c)pyridine