7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

Base Information

Chemical Name:7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide
CAS No.:229005-68-9
Molecular Formula:C₃₁H₃₄N₂O₂S
Molecular Weight:498.689
Hs Code.:

Synonyms:7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

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Chemical Property of 7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

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Technology Process of 7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

There total 11 articles about 7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-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: 90.0%

: 229007-09-4
4-[N-methyl-N-(tetrahydro-2H-pyran-4-yl)aminomethyl]aniline

: 259739-46-3
7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

: 229005-68-9
7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

Guidance literature:: 7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 2h;

4-[N-methyl-N-(tetrahydro-2H-pyran-4-yl)aminomethyl]aniline; With triethylamine; In tetrahydrofuran; at 20 ℃;
DOI:10.1248/cpb.52.254

Reference yield:

: 79-37-8
oxalyl dichloride

: 229007-09-4
4-[N-methyl-N-(tetrahydro-2H-pyran-4-yl)aminomethyl]aniline

: 259739-46-3
7-(4-methylphenyl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

: 229005-68-9
7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

Guidance literature:: With triethylamine; In tetrahydrofuran; N-methyl-acetamide; dichloromethane; water;

Reference yield:

: 15084-55-6
7-bromo-3,4-dihydro-1-benzothiepin-5(2H)-one

: 229005-68-9
7-(4-methylphenyl)-N-(4-{[methyl(tetrahydro-2H-pyran-4-yl)amino]methyl}phenyl)-2,3-dihydro-1-benzothiepine-4-carboxamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: 99 percent / K₂CO₃; Pd(PPh₃)4 / ethanol; toluene / 3.5 h / Heating

2.1: 92 percent / NaOMe / 8 h / Heating

3.1: NaBH₄ / CH₂Cl₂ / 1 h / -10 °C

4.1: Et₃N / CH₂Cl₂ / 20 °C

5.1: 6.7 g / 1,8-diazabicyclo[5.4.0]undec-7-ene / CH₂Cl₂ / 1 h / 20 °C

6.1: 95 percent / aq. NaOH / methanol; diethyl ether / 20 °C

7.1: oxalyl chloride; DMF / CH₂Cl₂ / 2 h / 20 °C

7.2: 90 percent / Et₃N / tetrahydrofuran / 20 °C

With sodium hydroxide; sodium tetrahydroborate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; sodium methylate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; N,N-dimethyl-formamide; In methanol; diethyl ether; ethanol; dichloromethane; toluene; 1.1: Suzuki coupling;
DOI:10.1248/cpb.52.254