4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester
• CAS No.: 301672-69-5
• Molecular Formula: C₁₇H₂₃ClN₂O₄
• Molecular Weight: 354.834

Synonyms:4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

Chemical Property of 4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

Chemical Property:

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Technology Process of 4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

There total 3 articles about 4-(3-Carboxy₄-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl 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:

4-[4-chloro-3-(ethoxycarbonyl)phenyl]hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester (301672-68-4) → 4-(3-Carboxy4-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester (301672-69-5)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; ethanol; water;

Reference yield:

5-Bromo-2-chloro-benzoic acid ethyl ester (76008-73-6) → 4-(3-Carboxy4-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester (301672-69-5)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / 2-Methylpentane; nitrogen; toluene

2: lithium hydroxide monohydrate / tetrahydrofuran; ethanol; water

With lithium hydroxide monohydrate; caesium carbonate; In tetrahydrofuran; ethanol; 2-Methylpentane; nitrogen; water; toluene;

Reference yield:

tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → 4-(3-Carboxy4-chlorophenyl)hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester (301672-69-5)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / 2-Methylpentane; nitrogen; toluene

2: lithium hydroxide monohydrate / tetrahydrofuran; ethanol; water

With lithium hydroxide monohydrate; caesium carbonate; In tetrahydrofuran; ethanol; 2-Methylpentane; nitrogen; water; toluene;

upstream raw materials:

4-[4-chloro-3-(ethoxycarbonyl)phenyl]hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

5-Bromo-2-chloro-benzoic acid ethyl ester

tert-butyl 1,4-diazepine-1-carboxylate

Downstream raw materials:

Hexahydro₄-[4-methyl-3-[[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]carbonyl]-phenyl]1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

4-[4-Chloro-3-[[(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)amino]carbonyl]phenyl]hexahydro-1H-1,4-diazepine-1-carboxylic acid, 1,1-dimethylethyl ester

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