tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

Base Information

• Chemical Name: tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
• CAS No.: 1023954-07-5
• Molecular Formula: C₂₁H₂₄F₃N₃O₅S
• Molecular Weight: 487.5

Synonyms:tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

Chemical Property of tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

Chemical Property:

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Technology Process of tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

There total 6 articles about tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate 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: 91.0%

trifluoromethylsulfonic anhydride (358-23-6) + tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate (1023953-97-0) → tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate (1023954-07-5)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2013.02.020

Reference yield:

C20H25N3O3 (1023953-97-0) + trifluoromethylsulfonic anhydride (358-23-6) → tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate (1023954-07-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/j.bmcl.2008.01.090

Reference yield:

2-phenylacetamidine (5504-24-5) → tert-butyl 2-benzyl-4-{[(trifluoromethyl)sulfonyl]oxy}-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate (1023954-07-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethanolate / ethanol / 0 - 20 °C / Inert atmosphere

2: pyridine / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere

With pyridine; sodium ethanolate; In ethanol; dichloromethane;

DOI:10.1016/j.ejmech.2013.02.020

upstream raw materials:

C₂₀H₂₅N₃O₃

trifluoromethylsulfonic anhydride

tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate

2-phenylacetamidine

Downstream raw materials:

C₂₇H₃₁N₃O₂

C₂₇H₂₈F₃N₃O₂

2-benzyl-4-(1H-pyrazol-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine

4-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)thiomorpholine

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