2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one

Base Information

• Chemical Name: 2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one
• CAS No.: 88873-87-4
• Molecular Formula: C₁₇H₂₅NOS
• Molecular Weight: 291.458
• DSSTox Substance ID: DTXSID30540202
• Mol file: 88873-87-4.mol

Synonyms:88873-87-4;DTXSID30540202;2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one

Chemical Property of 2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 291.16568559
• Heavy Atom Count: 20
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CSCCN1CCCCC1)C(=O)C2=CC=CC=C2

Technology Process of 2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one

There total 1 articles about 2-Methyl-1-phenyl-3-{[2-(piperidin-1-yl)ethyl]sulfanyl}propan-1-one 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: 78.6%

N-(2-Mercaptoethyl)piperidine (4706-22-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-phenyl-propan-1-one (93-55-0) → 1-phenyl-2-(piperidinoethylthiomethyl)-propan-1-one (88873-87-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; Ambient temperature; 6 h and overnight;

Reference yield:

1-phenyl-2-(piperidinoethylthiomethyl)-propan-1-one (88873-87-4) + palladium dichloride → cis-PdCl2*1-phenyl-2-(piperidinoethylthiomethyl)-propan-1-one (104413-85-6)

Guidance literature:

With HCl; In diethyl ether; byproducts: NaCl; direct synthesis by the react. of PdCl2 soln. (3M HCl) and PPP; pptn.;; washing; dissoln. in an appropriate solvent (separation from NaCl); evapn.; elem. anal.;

Reference yield:

sodium tetrachloroaurate(III) (15189-51-2) + 1-phenyl-2-(piperidinoethylthiomethyl)-propan-1-one (88873-87-4) → auric chloride * 1-phenyl-2-(piperidinoethylthiomethyl)propan-1-one complex

Guidance literature:

In diethyl ether; byproducts: NaCl; according to Yu. I. Murinov et al. Zhur.Neorg.Khim., 1980, 25(10), 2784(Russ.J.Inorg.Chem., 1980(1)), long phase contact and heating; washing (ether), dissolution in suitable solvent, evapn.; elem. anal.;

upstream raw materials:

N-(2-Mercaptoethyl)piperidine

formaldehyd

1-phenyl-propan-1-one

Downstream raw materials:

cis-PdCl₂*1-phenyl-2-(piperidinoethylthiomethyl)-propan-1-one

tetrachloroauric acid * 1-phenyl-2-(piperidinoethylthiomethyl)propan-1-one complex

Refernces