4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

Base Information

• Chemical Name: 4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
• CAS No.: 134856-47-6
• Molecular Formula: C12H14N2
• Molecular Weight: 186.25296
• DSSTox Substance ID: DTXSID70567711
• Mol file: 134856-47-6.mol

Synonyms:134856-47-6;4-Methyl-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyridine;4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole;DTXSID70567711;InChI=1/C12H14N2/c1-9-5-4-8-14-11-7-3-2-6-10(11)13-12(9)14/h2-3,6-7,9H,4-5,8H2,1H

Chemical Property of 4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

Chemical Property:

• PSA: 17.82000
• LogP: 2.93360
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCN2C1=NC3=CC=CC=C32

Technology Process of 4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

There total 7 articles about 4-Methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole 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: 96.0%

1-(pent-4-en-1-yl)-1H-benzo[d]imidazole (1374668-49-1) → 1,2,3,4-tetrahydro-4-methyl-1H-pyrido<1,2-a>benzimidazole (134856-47-6)

Guidance literature:

With Cp*Sc(CH₂C₆H₄NMe₂-o)2; trityl tetrakis(pentafluorophenyl)borate; In ⁽²⁾H₈-toluene; at 110 ℃; for 6h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.9b12503

Reference yield:

carbon monoxide (201230-82-2) + N-(pent-4-enyl)benzene-1,2-diamine (134856-37-4) → 7,8,9,10-tetrahydro-6H-benzo[4,5]imidazo[1,2-a]azepine (19979-46-5) + 1,2,3,4-tetrahydro-4-methyl-1H-pyrido<1,2-a>benzimidazole (134856-47-6)

Guidance literature:

With hydrogen; dirhodium tetraacetate; triphenylphosphine; at 70 ℃; under 20685.9 Torr; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)74365-6

Reference yield:

4-pentenyl-1-amine (22537-07-1) → 1,2,3,4-tetrahydro-4-methyl-1H-pyrido<1,2-a>benzimidazole (134856-47-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent / Heating

2: 64 percent / iron powder, conc. hydrochloric acid / aq. ethanol

3: hydrogen / rhodium(II) acetate dimer, triphenylphosphine / ethyl acetate / 20 h / 70 °C / 20685.9 Torr

With hydrogenchloride; hydrogen; iron; dirhodium tetraacetate; triphenylphosphine; In ethanol; ethyl acetate;

DOI:10.1016/S0040-4020(01)90361-8

upstream raw materials:

carbon monoxide

N-(pent-4-enyl)benzene-1,2-diamine

4-pentenyl-1-amine

2-Chloronitrobenzene

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