N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide

Base Information

• Chemical Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
• CAS No.: 5400-87-3
• Molecular Formula: C22H27N7O2S
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID10411623
• Mol file: 5400-87-3.mol

Synonyms:5400-87-3;N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide;DTXSID10411623

Chemical Property of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide

Chemical Property:

• Density: 1.33g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 453.19469430
• Heavy Atom Count: 32
• Complexity: 593

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NN=NN3C4=CC=CC=C4OC

Technology Process of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide

There total 5 articles about N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide 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'-methylpropiophenone (5337-93-9) → 1-p-tolyl-propane-1,2-dione-2-oxime (5400-87-3)

Guidance literature:

With hydrogenchloride; n-Butyl nitrite; In methanol; at 20 ℃; for 14h;

DOI:10.1007/s11172-006-0374-0

Reference yield:

n-Butyl nitrite (544-16-1) + 4'-methylpropiophenone (5337-93-9) → 1-p-tolyl-propane-1,2-dione-2-oxime (5400-87-3)

Guidance literature:

With hydrogenchloride; diethyl ether;

DOI:10.1021/ja01382a045

Reference yield:

1-(hydroxyimino-(seqtrans))-1-p-tolyl-propanone-(2) (53815-22-8) → 1-p-tolyl-propane-1,2-dione-2-oxime (5400-87-3)

Guidance literature:

With sulfuric acid;

upstream raw materials:

n-Butyl nitrite

4'-methylpropiophenone

1-(hydroxyimino-(seqtrans))-1-p-tolyl-propanone-⁽²⁾

methyl-p-tolyl-glyoxime

Downstream raw materials:

4-methyl-benzoic acid methyl ester

p-Toluic acid

1-(p-Tolyl)-1,2-propanedione

1-dihydro-nor-mephedrone

Refernces

• 1、 Kilic, Ahmet,Flrat, Hamza,Aytar, Emine,Durgun, Mustafa,Baytak, Aysegul Kutluay,Aslanoglu, Mehmet,Ulusoy, Mahmut. "Dicobaloxime/organodicobaloximes bridged by different axial groups: Synthesis, characterization, spectroscopy, and catalysis". . p. 1705 - 1720. Retrieved 2017/09/02.
• 2、 Kilic, Ahmet,Kilic, Mehmet Veysi,Ulusoy, Mahmut,Durgun, Mustafa,Aytar, Emine,Dagdevren, Metin,Yilmaz, Ismail. "Ketone synthesized cobaloxime/organocobaloxime catalysts for cyclic carbonate synthesis from CO2 and epoxides: Characterization and electrochemistry". . p. 150 - 159. Retrieved 2014/07/08.