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

Base Information

• Chemical Name: tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate
• CAS No.: 1023953-97-0
• Molecular Formula: C₂₀H₂₅N₃O₃
• Molecular Weight: 355.437

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

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

Chemical Property:

Purity/Quality:

97% ^*data from raw suppliers

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

There total 5 articles about tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-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: 83.0%

5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (141642-82-2) + 2-phenylacetamidine (5504-24-5) → tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate (1023953-97-0)

Guidance literature:

With sodium methylate; In methanol; at 23 ℃;

DOI:10.1021/jm5003292

Reference yield: 83.0%

Benzeneacetamide (103-81-1) + 5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (141642-82-2) → tert-butyl 2-benzyl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate (1023953-97-0)

Guidance literature:

With sodium methylate; In methanol; at 0 - 20 ℃;

Reference yield:

2-phenylacetamidine hydrochloride (2498-46-6) + 5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (141642-82-2) → C20H25N3O3 (1023953-97-0)

Guidance literature:

With triethylamine; In tert-butyl alcohol; for 48h; Heating;

DOI:10.1016/j.bmcl.2008.01.090

upstream raw materials:

2-phenylacetamidine hydrochloride

5-oxo-azepane-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

Benzeneacetamide

2-phenylacetamidine

Downstream raw materials:

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

2-benzyl-4-(2,4,6-trimethylbenzenesulfonyloxy)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester

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

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

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