3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol

Base Information

• Chemical Name: 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol
• CAS No.: 289038-80-8
• Molecular Formula: C₃₂H₄₂N₂O₄S
• Molecular Weight: 550.762

Synonyms:3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol

Chemical Property of 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol

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Technology Process of 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol

There total 2 articles about 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol 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:

(+)-(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4'-hydroxyphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-4-ol 1,1-dioxide (228113-65-3) + 4-(Chloromethyl)pyridine (10445-91-7) → 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-4-ol (289038-80-8)

Guidance literature:

(+)-(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4'-hydroxyphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-4-ol 1,1-dioxide; With sodium hydride; In N,N-dimethyl-formamide; at -10 ℃;

4-(Chloromethyl)pyridine; In N,N-dimethyl-formamide; at -10 - 20 ℃;

DOI:10.1021/jm0402162

Reference yield:

3,3-dibutyl-7-dimethylamino-5-(4-methoxy-phenyl)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-4-ol (228113-64-2) → 3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-4-ol (289038-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 82 percent / BBr₃ / CH₂Cl₂ / 1 h / -5 - 0 °C

2.1: NaH / dimethylformamide / -10 °C

2.2: dimethylformamide / -10 - 20 °C

With boron tribromide; sodium hydride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm0402162

Reference yield:

3,3-dibutyl-7-dimethylamino-1,1-dioxo-5-[4-(pyridin-4-ylmethoxy)-phenyl]-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-4-ol (289038-80-8) + ethyl iodide (75-03-6) → 4-({4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]phenoxy}methyl)-1-ethylpyridinium iodide

Guidance literature:

In acetonitrile; at 70 ℃;

DOI:10.1021/jm0402162

upstream raw materials:

(+)-(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-(4'-hydroxyphenyl)-2,3,4,5-tetrahydro-1-benzothiepin-4-ol 1,1-dioxide

4-(Chloromethyl)pyridine

3,3-dibutyl-7-dimethylamino-5-(4-methoxy-phenyl)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-4-ol

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