Necopidem

Base Information

• Chemical Name: Necopidem
• CAS No.: 103844-77-5
• Molecular Formula: C23H29 N3 O
• Molecular Weight: 363.503
• UNII: G4N2F166MN
• DSSTox Substance ID: DTXSID50146109
• Nikkaji Number: J561.800B
• Wikipedia: Necopidem
• Wikidata: Q6985623
• NCI Thesaurus Code: C66224
• ChEMBL ID: CHEMBL2105143
• Mol file: 103844-77-5.mol

Synonyms:Necopidem;103844-77-5;Necopidem [INN];UNII-G4N2F166MN;N-[[2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]-N,3-dimethylbutanamide;G4N2F166MN;Imidazo[1,2-a]pyridine, butanamide deriv.;N-((2-(p-Ethylphenyl)-6-methylimidazo(1,2-a)pyridin-3-yl)methyl)-N,3-dimethylbutyramide;SCHEMBL1061121;CHEMBL2105143;DTXSID50146109;Q6985623;N-((2-(p-Ethylphenyl)-6-methylimidazo(1,2-a)pyridin-3-yl)methyl)-N,3-dimethyl-butyramide.

Chemical Property of Necopidem

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.61000
• Density: 1.08g/cm³
• LogP: 4.87660
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 363.231062557
• Heavy Atom Count: 27
• Complexity: 486

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CN(C)C(=O)CC(C)C

Technology Process of Necopidem

There total 8 articles about Necopidem 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:

C18H21N3 + isopentanoyl chloride (108-12-3) → N-((2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl)methyl)-N,3-dimethylbutanamide (103844-77-5)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1002/anie.201100362

Reference yield:

C22H27N3O + methyl iodide (74-88-4) → N-((2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl)methyl)-N,3-dimethylbutanamide (103844-77-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 5 - 20 ℃; for 1h;

DOI:10.1039/c5cc05821j

Reference yield:

2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde (899364-25-1) → N-((2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl)methyl)-N,3-dimethylbutanamide (103844-77-5)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate / methanol / 20 h / 65 °C

2: sodium tetrahydroborate / methanol / 0 - 20 °C

3: sodium hydrogencarbonate / tetrahydrofuran / 0.5 h / 20 °C

With sodium tetrahydroborate; sodium hydrogencarbonate; In tetrahydrofuran; methanol;

DOI:10.1002/anie.201100362

upstream raw materials:

2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

isopentanoyl chloride

(5-methyl-pyridin-2-yl)amine

methyl iodide