N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide

Base Information

• Chemical Name: N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide
• CAS No.: 112063-62-4
• Molecular Formula: C₃₁H₄₁N₃OS
• Molecular Weight: 503.752
• Mol file: 112063-62-4.mol

Synonyms:

Chemical Property of N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide

There total 2 articles about N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide 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:

(6aR*,10aR*,11R*)-11-<(chlorobutyryl)amino>-6,6a,7,8,9,10,10a,11-octahydrodibenzothiepin (130982-63-7) + 1-(3-phenyl-2-propenyl)piperazine (18903-01-0,87179-40-6,114312-65-1) → N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide (112063-62-4,130982-66-0)

Guidance literature:

With sodium iodide; In N,N-dimethyl-formamide; at 100 ℃; for 1h; Yield given;

DOI:10.1021/jm00106a019

Reference yield:

trans(6a-H,10a-H)-cis(10a-H,11-H)-11-amino-6,6a,7,8,9,10,10a,11-octahydrodibenzothiepine (130982-55-7) → N-(4aS,5S,11aS)-1,2,3,4,4a,5,11,11a-Octahydro-10-thia-dibenzo[a,d]cyclohepten-5-yl-4-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]-butyramide (112063-62-4,130982-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / toluene / 6 h / Heating

2: NaI / dimethylformamide / 1 h / 100 °C

With sodium iodide; In N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm00106a019

upstream raw materials:

(6aR^*,10aR^*,11R^*)-11-<(chlorobutyryl)amino>-6,6a,7,8,9,10,10a,11-octahydrodibenzothiepin

1-(3-phenyl-2-propenyl)piperazine

trans(6a-H,10a-H)-cis(10a-H,11-H)-11-amino-6,6a,7,8,9,10,10a,11-octahydrodibenzothiepine