N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-⁽¹³⁾C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide

Base Information

• Chemical Name: N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-⁽¹³⁾C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide
• CAS No.: 1189171-63-8
• Molecular Formula: C₃₂H₃₆N₂O₂
• Molecular Weight: 482.628
• Mol file: 1189171-63-8.mol

Synonyms:

Chemical Property of N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-⁽¹³⁾C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-⁽¹³⁾C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide

There total 2 articles about N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-⁽¹³⁾C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide 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: 36.0%

(13)CH3-p-(B-pinacolboronyl)toluene (1189171-65-0) + N-[4-[N-(13)C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-bromo-6,7-dihydro-5H-benzocycloheptene-8-carboxamide (1189171-72-9) → N-[4-[N-(13)C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-(13)C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide (1189171-63-8)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,2-dimethoxyethane; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2009.07.026

Reference yield:

4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]-aniline (1189171-66-1) + 2-(4-(13)C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid chloride → N-[4-[N-(13)C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-(13)C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide (1189171-63-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1016/j.bmc.2009.07.026

Reference yield:

[13C]methyl iodide (4227-95-6) + N-[4-[N-(13)C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-(4-(13)C-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide (1189171-63-8) → N,N-(13)C,(13)C-dimethyl-N-[4[[[2-(4-(13)C-methylphenyl)-6,7-dihydro-5H-benzocycloheptan-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium iodide

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmc.2009.07.026

upstream raw materials:

4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]-aniline

⁽¹³⁾CH₃-p-(B-pinacolboronyl)toluene

N-[4-[N-⁽¹³⁾C-methyl-N-(4-tetrahydropyranyl)aminomethyl]-phenyl]-2-bromo-6,7-dihydro-5H-benzocycloheptene-8-carboxamide