Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)-

Base Information

• Chemical Name: Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)-
• CAS No.: 115030-33-6
• Molecular Formula: C23H30 N2 O S
• Molecular Weight: 382.5621
• DSSTox Substance ID: DTXSID00150933
• Wikidata: Q83017258
• Mol file: 115030-33-6.mol

Synonyms:BRN 5131997;Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)-;N-(4-((3-(4-(Phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)acetamide;115030-33-6;DTXSID00150933

Chemical Property of Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)-

Chemical Property:

• Vapor Pressure: 2.8E-13mmHg at 25°C
• Boiling Point: 576.2°Cat760mmHg
• Flash Point: 302.3°C
• Density: 1.13g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 382.20788476
• Heavy Atom Count: 27
• Complexity: 422

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)SCCCN2CCC(CC2)CC3=CC=CC=C3

Technology Process of Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)-

There total 2 articles about Acetamide, N-(4-((3-(4-(phenylmethyl)-1-piperidinyl)propyl)thio)phenyl)- 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: 44.0%

4-benzylpyperidine (31252-42-3) + γ-chloropropyl-4-acetamidophenyl sulphide (78234-11-4) → 1-<4-benzylpiperidin-1-yl>-3-(4-acetamidophenylthio)propane (115030-33-6)

Guidance literature:

With sodium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

4-acetamidothiophenol (1126-81-4) → 1-<4-benzylpiperidin-1-yl>-3-(4-acetamidophenylthio)propane (115030-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / NaOH (aq.) / ethanol / 2 h / 100 °C

2: 44 percent / NaI, Na₂CO₃ / dimethylformamide / 80 °C

With sodium hydroxide; sodium carbonate; sodium iodide; In ethanol; N,N-dimethyl-formamide;

Reference yield: 56.0%

1-<4-benzylpiperidin-1-yl>-3-(4-acetamidophenylthio)propane (115030-33-6) → 4-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-phenylamine; hydrochloride (115041-67-3)

Guidance literature:

With hydrogenchloride; at 130 ℃;

upstream raw materials:

4-benzylpyperidine

γ-chloropropyl-4-acetamidophenyl sulphide

4-acetamidothiophenol

Downstream raw materials:

4-[3-(4-Benzyl-piperidin-1-yl)-propylsulfanyl]-phenylamine; hydrochloride

Refernces

• 1、 Rao, Jyoti,Saxena, Anil K.,Saxena, R. M.,Singh, H. K.,Kar, K.,Srimal, R. C.. "Synthesis of N-heterocyclics as Potential CNS/CVS Agents". . p. 761 - 765. Retrieved 2007/10/02.