3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Base Information

Chemical Name:3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CAS No.:211761-71-6
Molecular Formula:C₂₉H₃₃N₅O₃S
Molecular Weight:531.679
Hs Code.:

Synonyms:3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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Chemical Property of 3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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Technology Process of 3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

There total 11 articles about 3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one 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: 79.0%

: 213664-73-4
3-(3-(4-hydroxyphenyl)thioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

: 74-88-4
methyl iodide

: 211761-71-6
3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Guidance literature:: In acetonitrile; for 3h; Ambient temperature;
DOI:10.1021/jm990044m

Reference yield:

: 1877-77-6
3-aminobenzenemethanol

: 211761-71-6
3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Guidance literature:: Multi-step reaction with 9 steps

1: 84 percent / acetonitrile / 3 h / 20 - 50 °C

2: 93 percent / Et₃N / dimethylformamide / 1 h / Ambient temperature

3: 80 percent / LiBr / dimethylformamide / 1.3 h / 0 °C

4: tetra-n-butylammonium bromide, KOH / tetrahydrofuran / 2 h / Ambient temperature

5: H₂ / 10 percent Pd/C / methanol / Ambient temperature

6: acetonitrile / 0.33 h / -50 - 20 °C

7: acetonitrile / 1 h

8: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 1 h / 0 °C

9: 79 percent / acetonitrile / 3 h / Ambient temperature

With potassium hydroxide; tetrabutylammomium bromide; hydrogen; triethylamine; trifluoroacetic acid; lithium bromide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm990044m

Reference yield:

: 97278-68-7,86499-24-3
3-azido-2,3,4,5-tetrahydro-2-oxo-1 H-1-benzazepine

: 211761-71-6
3-(3-(4-hydroxyphenyl)-S-methylphenylisothioureido)-1-N-(3-(3-isopropylureido)benzyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Guidance literature:: Multi-step reaction with 6 steps

1: tetra-n-butylammonium bromide, KOH / tetrahydrofuran / 2 h / Ambient temperature

2: H₂ / 10 percent Pd/C / methanol / Ambient temperature

3: acetonitrile / 0.33 h / -50 - 20 °C

4: acetonitrile / 1 h

5: 85 percent / trifluoroacetic acid / CH₂Cl₂ / 1 h / 0 °C

6: 79 percent / acetonitrile / 3 h / Ambient temperature

With potassium hydroxide; tetrabutylammomium bromide; hydrogen; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; acetonitrile;
DOI:10.1021/jm990044m