1H-1,4-Diazepine-1,5-dicarboxylic acid, 4-[[4-(2-butynyloxy)phenyl]sulfonyl]hexahydro-, bis(1,1-dimethylethyl) ester

Base Information

• Chemical Name: 1H-1,4-Diazepine-1,5-dicarboxylic acid, 4-[[4-(2-butynyloxy)phenyl]sulfonyl]hexahydro-, bis(1,1-dimethylethyl) ester
• CAS No.: 287408-74-6
• Molecular Formula: C25H36N2O7S
• Molecular Weight: 508.636
• Mol file: 287408-74-6.mol

Synonyms:

Chemical Property of 1H-1,4-Diazepine-1,5-dicarboxylic acid, 4-[[4-(2-butynyloxy)phenyl]sulfonyl]hexahydro-, bis(1,1-dimethylethyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1H-1,4-Diazepine-1,5-dicarboxylic acid, 4-[[4-(2-butynyloxy)phenyl]sulfonyl]hexahydro-, bis(1,1-dimethylethyl) ester

There total 3 articles about 1H-1,4-Diazepine-1,5-dicarboxylic acid, 4-[[4-(2-butynyloxy)phenyl]sulfonyl]hexahydro-, bis(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:

(+/-)-tert-butyl 1,4-diazepane-5-carboxylate (138883-20-2) + 4-benzoyl-1-(4-hydroxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid methyl ester (218947-56-9) + 4-but-2-ynyloxybenzenesulfonyl chloride (286459-94-7) → di(tert-butyl) 4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-1,5-dicarboxylate (287408-74-6)

Guidance literature:

(+/-)-tert-butyl 1,4-diazepane-5-carboxylate; 4-benzoyl-1-(4-hydroxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid methyl ester; With sodium hydroxide; In 1,4-dioxane; water; for 18h;

4-but-2-ynyloxybenzenesulfonyl chloride; With dmap; triethylamine; In 1,4-dioxane; water;

Reference yield:

(+/-)-tert-butyl 1,4-diazepane-5-carboxylate (138883-20-2) → di(tert-butyl) 4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-1,5-dicarboxylate (287408-74-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / dioxane

2: Et₃N; DMAP

With dmap; sodium hydroxide; triethylamine; In 1,4-dioxane;

DOI:10.1016/j.bmcl.2005.01.053

Reference yield:

4-but-2-ynyloxybenzenesulfonyl chloride (286459-94-7) + di-tert-butyl 1,4-diazepane-1,5-dicarboxylate → di(tert-butyl) 4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-1,5-dicarboxylate (287408-74-6)

Guidance literature:

With dmap; triethylamine;

DOI:10.1016/j.bmcl.2005.01.053

upstream raw materials:

4-but-2-ynyloxybenzenesulfonyl chloride

(+/-)-tert-butyl 1,4-diazepane-5-carboxylate

4-benzoyl-1-(4-hydroxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid methyl ester

Downstream raw materials:

4-{[4-(2-butynyloxy)-phenyl]sulfonyl}-1,4-diazepane-5-carboxylic acid

4-{[4-(2-Butynyloxy)phenyl]sulfonyl}-N-hydroxy-1,4-diazepane-5-carboxamide

1-benzyl-4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-5-carboxylic acid

tert-butyl 4-{[4-(2-butynyloxy)phenyl]sulfonyl}-1,4-diazepane-5-carboxylic acid-1-carboxylate