1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-

Base Information

• Chemical Name: 1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-
• CAS No.: 100316-89-0
• Molecular Formula: C₁₂H₁₈N₂OS
• Molecular Weight: 238.354
• DSSTox Substance ID: DTXSID10143159
• Wikidata: Q83006883
• Mol file: 100316-89-0.mol

Synonyms:BRN 0191648;1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-;100316-89-0;3-(4-Methyl-1-piperazinyl)-1-(2-thienyl)-1-propanone;4-23-00-00342 (Beilstein Handbook Reference);DTXSID10143159;LS-123126

Chemical Property of 1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-

Chemical Property:

• Vapor Pressure: 1.99E-05mmHg at 25°C
• Boiling Point: 362°C at 760 mmHg
• Flash Point: 172.7°C
• Density: 1.126g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 238.11398438
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC(=O)C2=CC=CS2

Technology Process of 1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)-

There total 1 articles about 1-Propanone, 3-(4-methyl-1-piperazinyl)-1-(2-thienyl)- 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:

2-Acetylthiophene (88-15-3,97511-16-5) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + N-methylpiperazine dihydrochloride (50398-09-9,51545-09-6,34352-59-5) → 3-(4-methyl-piperazino)-1-[2]thienyl-propan-1-one (100316-89-0)

Guidance literature:

With ethanol;

Reference yield:

3-(4-methyl-piperazino)-1-[2]thienyl-propan-1-one (100316-89-0) → 3-(4-methyl-piperazino)-1-phenyl-1-[2]thienyl-propan-1-ol

Guidance literature:

With diethyl ether; phenylmagnesium bromide;

Reference yield:

3-(4-methyl-piperazino)-1-[2]thienyl-propan-1-one (100316-89-0) → 1-methyl-4-(3-phenyl-3-[2]thienyl-allyl)-piperazine

Guidance literature:

With diethyl ether; phenylmagnesium bromide; isomer(ic) I;

upstream raw materials:

2-Acetylthiophene

formaldehyd

N-methylpiperazine dihydrochloride