N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide

Base Information

• Chemical Name: N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide
• CAS No.: 122861-38-5
• Molecular Formula: C₂₂H₂₈N₂S
• Molecular Weight: 352.544
• DSSTox Substance ID: DTXSID801345671
• ChEMBL ID: CHEMBL1739928
• Mol file: 122861-38-5.mol

Synonyms:N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide;Oprea1_159612;AE-641/30153052;CHEMBL1739928;CNWANTXFMDITNZ-UHFFFAOYSA-N;DTXSID801345671;N-[1-(2-Phenylethyl)-4-piperidinyl]thiopropionanilide;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanethioamide;122861-38-5

Chemical Property of N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 352.19732008
• Heavy Atom Count: 25
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=S)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide

There total 4 articles about N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanethioamide 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: 35.0%

N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide (437-38-7) → N-<1-(2-phenylethyl)-4-piperidyl>-N-phenylthiopropanamide (122861-38-5)

Guidance literature:

With pyridine; tetraphosphorus decasulfide; water; for 2h; Heating;

Reference yield:

1-(2-phenylethyl)-4-piperidinone (39742-60-4) → N-<1-(2-phenylethyl)-4-piperidyl>-N-phenylthiopropanamide (122861-38-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1) p-toluenesulfonic acid monohydrate, 2) NaBH₄ / 1) toluene, 22 h, reflux, 2) ethanol, rt, 3 h

2: toluene / 2 h / Heating

3: p-methoxyphenylthionophosphine sulfide dimer / toluene / 5 h / Heating

With Lawessons reagent; sodium tetrahydroborate; toluene-4-sulfonic acid; In toluene;

DOI:10.1002/jhet.5570260329

Reference yield:

(1-Phenethyl-piperidin-4-yl)-phenyl-amine (21409-26-7) → N-<1-(2-phenylethyl)-4-piperidyl>-N-phenylthiopropanamide (122861-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 2 h / Heating

2: p-methoxyphenylthionophosphine sulfide dimer / toluene / 5 h / Heating

With Lawessons reagent; In toluene;

DOI:10.1002/jhet.5570260329

upstream raw materials:

N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide

1-(2-phenylethyl)-4-piperidinone

(1-Phenethyl-piperidin-4-yl)-phenyl-amine

aniline