1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-C]pyridine

Base Information

• Chemical Name: 1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-C]pyridine
• CAS No.: 87673-88-9
• Molecular Formula: C₇H₁₁N₃
• Molecular Weight: 137.184
• Hs Code.: 2933990090
• European Community (EC) Number: 819-985-0
• Mol file: 87673-88-9.mol

Synonyms:87673-88-9;1-METHYL-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE;1-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine;1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;MFCD01081938;SCHEMBL3515976;MSSJBRXYLYSRLI-UHFFFAOYSA-N;STL570142;AKOS005266164;AB08229;s11242;BS-13318;SY032476;FT-0731968;EN300-63754;A857678;1-Methyl-4,5,6,7-tetrahydroimidazo-[4,5-c]-pyridine;4,5,6,7-tetrahydro-1-methyl-1H-Imidazo[4,5-c]pyridine;1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

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

Chemical Property:

• Boiling Point: 339.2±32.0 °C(Predicted)
• PKA: 8.56±0.20(Predicted)
• PSA: 29.85000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 0.39460
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.095297364
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC2=C1CCNC2

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

There total 6 articles about 1-Methyl-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: 88.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-methylhistamine dihydrochloride (36475-47-5) → 1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (87673-88-9)

Guidance literature:

With methanesulfonic acid; In water; at 55 - 60 ℃; for 16h; Reagent/catalyst; Temperature; Large scale;

Reference yield:

1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester (1202800-68-7) + methyl iodide (74-88-4) → 1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (87673-88-9) + 3-methyl-3,4,6,7-tetrahydro-5H-imidazo<4,5-c>pyridine (64403-25-4)

Guidance literature:

1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester; With sodium hydride; In tetrahydrofuran; at 0 - 26 ℃; for 0.166667h;

methyl iodide; In tetrahydrofuran; at 26 ℃; for 16h;

With methanol hydrochloride; In methanol; at 0 - 26 ℃; for 16h; Overall yield = 5.5 g;

Reference yield:

4,5,6,7-tetrahydro-1H-imidazo<4,5-c>pyridine (6882-74-2) → 1-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (87673-88-9) + 3-methyl-3,4,6,7-tetrahydro-5H-imidazo<4,5-c>pyridine (64403-25-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium carbonate / tetrahydrofuran; water / 3 h / 0 °C

2.1: sodium hydroxide / methanol; water / 0.5 h / 26 °C

3.1: sodium hydride / tetrahydrofuran / 0.17 h / 0 - 26 °C

3.2: 16 h / 26 °C

3.3: 16 h / 0 - 26 °C

With sodium hydride; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

upstream raw materials:

methyl bromide

benzyl 3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxylate

4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "PRMT5 INHIBITORS AND USES THEREOF". Paragraph 00721; 00722. . Retrieved 2016/04/20.