(Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide

Base Information

• Chemical Name: (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide
• CAS No.: 868063-75-6
• Molecular Formula: C₁₇H₁₉N₅S
• Molecular Weight: 325.437
• Mol file: 868063-75-6.mol

Synonyms:(Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide

Chemical Property of (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide

There total 5 articles about (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide 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: 58.0%

(Z)-2-cyano-3-ethoxybut-2-enethioamide + 4-(1,4-diazepan-1-yl)benzonitrile (303134-11-4) → (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide (868063-75-6)

Guidance literature:

In ethanol; at 20 ℃; for 15h;

DOI:10.1016/j.bmc.2013.01.071

Reference yield:

tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide (868063-75-6)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dimethyl sulfoxide / 16 h / 100 °C

2: hydrogenchloride / 1,4-dioxane; methanol / 1 h / 20 °C

3: ethanol / 15 h / 20 °C

With hydrogenchloride; triethylamine; In 1,4-dioxane; methanol; ethanol; dimethyl sulfoxide;

DOI:10.1016/j.bmc.2013.01.071

Reference yield:

4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester (868063-74-5) → (Z)-2-cyano-3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]but-2-enethioamide (868063-75-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 1,4-dioxane; methanol / 1 h / 20 °C

2: ethanol / 15 h / 20 °C

With hydrogenchloride; In 1,4-dioxane; methanol; ethanol;

DOI:10.1016/j.bmc.2013.01.071

upstream raw materials:

4-(1,4-diazepan-1-yl)benzonitrile

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

4-fluorobenzonitrile

4-(4-cyanophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

Downstream raw materials:

3-amino-4-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide

C₂₀H₂₂N₆O₂S