(5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone

Base Information

• Chemical Name: (5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone
• CAS No.: 62404-17-5
• Molecular Formula: C16H17NOS
• Molecular Weight: 271.383
• DSSTox Substance ID: DTXSID90488954
• Mol file: 62404-17-5.mol

Synonyms:62404-17-5;(5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone;SCHEMBL14134496;DTXSID90488954

Chemical Property of (5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.10308534
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)C2=CC=C(S2)C3=CC=CC=C3

Technology Process of (5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone

There total 4 articles about (5-Phenylthiophen-2-yl)(piperidin-1-yl)methanone 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: 82.0%

bromobenzene (108-86-1,52753-63-6) + (piperidin-1-yl)(thiophen-2-yl)methanone (31330-58-2) → N-(5-phenyl-2-thenoyl)piperidine (62404-17-5) + N-(3,5-diphenyl-2-thenoyl)piperidine (77509-83-2)

Guidance literature:

With palladium diacetate; P(O-biphenyl)(t-Bu)2; caesium carbonate; In o-xylene; for 40h; Heating;

DOI:10.1021/ja0259279

Reference yield:

2-iodo-5-phenylthiophene (13781-37-8) → N-(5-phenyl-2-thenoyl)piperidine (62404-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: magnesium; ethyl bromide; diethyl ether / anschliessend Behandeln mit Kohlendioxid

2: thionyl chloride

3: diethyl ether

With ethyl bromide; thionyl chloride; diethyl ether; magnesium;

Reference yield:

5-phenyl-2-thiophenecarboxylic acid (19163-24-7) → N-(5-phenyl-2-thenoyl)piperidine (62404-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: diethyl ether

With thionyl chloride; diethyl ether;

upstream raw materials:

piperidine

5-phenyl-2-thiophene carbonyl chloride

bromobenzene

(piperidin-1-yl)(thiophen-2-yl)methanone