4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester

Base Information

• Chemical Name: 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester
• CAS No.: 80030-69-9
• Molecular Formula: C₂₄H₃₄N₄O₃S
• Molecular Weight: 458.625
• Mol file: 80030-69-9.mol

Synonyms:4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester

Chemical Property of 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester

There total 3 articles about 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl 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: 97.0%

4-(Azocane-1-carbonyl)-piperidine-1-carbothioic acid (2-cyano-4,5-dimethoxy-phenyl)-amide (86543-13-7) + methyl iodide (74-88-4) → 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester (80030-69-9)

Guidance literature:

With calcium oxide; In chloroform; Heating;

DOI:10.1021/jm00364a014

Reference yield:

4-(Azocane-1-carbonyl)-piperidine-1-carboxylic acid benzyl ester → 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester (80030-69-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 97 percent / 1 N aq. HCl, H₂ / Pd/C / methanol / 760 Torr / Ambient temperature

2: 67 percent / dimethylformamide / 0 °C

3: 97 percent / calcium oxide / CHCl₃ / Heating

With hydrogenchloride; hydrogen; calcium oxide; palladium on activated charcoal; In methanol; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm00364a014

Reference yield:

Azocan-1-yl-piperidin-4-yl-methanone (86542-90-7) → 4-(Azocane-1-carbonyl)-N-(2-cyano-4,5-dimethoxy-phenyl)-piperidine-1-carboximidothioic acid methyl ester (80030-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / dimethylformamide / 0 °C

2: 97 percent / calcium oxide / CHCl₃ / Heating

With calcium oxide; In chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm00364a014

upstream raw materials:

4-(Azocane-1-carbonyl)-piperidine-1-carbothioic acid (2-cyano-4,5-dimethoxy-phenyl)-amide

methyl iodide

Azocan-1-yl-piperidin-4-yl-methanone

Downstream raw materials:

[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperidin-4-yl]-azocan-1-yl-methanone; hydrochloride

Refernces