{2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester

Base Information

• Chemical Name: {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester
• CAS No.: 289038-53-5
• Molecular Formula: C₃₂H₄₆N₂O₇S
• Molecular Weight: 602.792

Synonyms:{2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester

Chemical Property of {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester

There total 2 articles about {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ⁶-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester 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:

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) → {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester (289038-53-5)

Guidance literature:

Multi-step reaction with 2 steps

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

2: potassium carbonate; tetrabutylammonium iodide / Heating

With boron tribromide; tetra-(n-butyl)ammonium iodide; potassium carbonate; In dichloromethane;

DOI:10.1021/jm0402162

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) + N-(chloroacetyl)glycine ethyl ester (41602-50-0) → {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester (289038-53-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; Heating;

DOI:10.1021/jm0402162

Reference yield:

{2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid ethyl ester (289038-53-5) → {2-[4-(3,3-dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1λ6-benzo[b]thiepin-5-yl)-phenoxy]-acetylamino}-acetic acid

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; at 45 ℃; for 2h;

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

N-(chloroacetyl)glycine ethyl ester

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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