2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

Base Information

• Chemical Name: 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine
• CAS No.: 1258976-30-5
• Molecular Formula: C₁₈H₂₀ClN₅OS
• Molecular Weight: 389.909

Synonyms:2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

Chemical Property of 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

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Technology Process of 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

There total 1 articles about 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine 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:

1,1-dimethylethyl 1-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate (1258976-29-2) + 1,1-dimethylethyl 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate (1258976-28-1) → 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine (1258976-30-5) + 1-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine (1258976-31-6)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃; for 53.5h;

Reference yield: 23.0%

Ethyl 4-bromobutyrate (2969-81-5) + 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine (1258976-30-5) + 1-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine (1258976-31-6) → methyl 4-[2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(2H)-yl]butanoate (1258976-32-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 2.5h; Inert atmosphere;

upstream raw materials:

1,1-dimethylethyl 1-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

1,1-dimethylethyl 2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate

Downstream raw materials:

methyl 4-[2-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(2H)-yl]butanoate

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