Methanone, [4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl][6-[(methylsulfonyl)oxy]-2 -[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl]-, hydrochloride

Base Information

• Chemical Name: Methanone, [4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl][6-[(methylsulfonyl)oxy]-2 -[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl]-, hydrochloride
• CAS No.: 84449-72-9
• Molecular Formula: C31H33NO8S3.ClH
• Molecular Weight: 680.264

Synonyms:

Chemical Property of Methanone, [4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl][6-[(methylsulfonyl)oxy]-2 -[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl]-, hydrochloride

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of Methanone, [4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl][6-[(methylsulfonyl)oxy]-2 -[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl]-, hydrochloride

There total 7 articles about Methanone, [4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl][6-[(methylsulfonyl)oxy]-2 -[4-[(methylsulfonyl)oxy]phenyl]benzo[b]thien-3-yl]-, hydrochloride 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: 73.0%

4-(2-azepan-1-yl-ethoxy)-benzoyl chloride + 6-<(methylsulfonyl)oxy>-2-<4-<(methylsulfonyl)oxy>phenyl>benzothiophene (84449-65-0) → 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-3-[4-(2-hexamethyleneiminoethoxy)benzoyl]benzo[b]thiophene, hydrochloride (84449-72-9)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 16h;

DOI:10.1021/jm00374a021

Reference yield:

α-(3-methoxyphenyl-thio)-4-methoxyacetophenone (63675-73-0) → 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-3-[4-(2-hexamethyleneiminoethoxy)benzoyl]benzo[b]thiophene, hydrochloride (84449-72-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 69 percent / PPA / 1 h / 85 - 90 °C

2: 71 percent / pyridine hydrochloride / 6 h / 220 °C

3: 99 percent / 4-(dimethylamino)pyridine, pyridine / Ambient temperature

4: 73 percent / AlCl₃ / 1,2-dichloro-ethane / 16 h

With pyridine; dmap; aluminium trichloride; pyridine hydrochloride; In 1,2-dichloro-ethane;

DOI:10.1021/jm00374a021

Reference yield:

aqueous sodium chloride + 6-<(methylsulfonyl)oxy>-2-<4-<(methylsulfonyl)oxy>phenyl>benzothiophene (84449-65-0) + 4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]benzoic acid hydrochloride (84449-74-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-3-[4-(2-hexamethyleneiminoethoxy)benzoyl]benzo[b]thiophene, hydrochloride (84449-72-9)

Guidance literature:

aluminium trichloride; In toluene;

upstream raw materials:

6-<(methylsulfonyl)oxy>-2-<4-<(methylsulfonyl)oxy>phenyl>benzothiophene

3-methoxybenzenethiol

2-(4'-methoxyphenyl)-6-methoxybenzothiophene

6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene

Downstream raw materials:

<6-hydroxy-2-(4-hydroxyphenyl)benzothien-3-yl><4-<2-(1-hexahydroazepinyl)ethoxy>phenyl>methanone

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