1-(Thiophen-3-ylmethyl)piperazine

Base Information

• Chemical Name: 1-(Thiophen-3-ylmethyl)piperazine
• CAS No.: 130288-91-4
• Molecular Formula: C₉H₁₄N₂S
• Molecular Weight: 182.29
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10393016
• Wikidata: Q72508571
• Mol file: 130288-91-4.mol

Synonyms:130288-91-4;1-(3-Thienylmethyl)piperazine;1-(thiophen-3-ylmethyl)piperazine;1-(thien-3-ylmethyl)piperazine;1-[(thiophen-3-yl)methyl]piperazine;Piperazine, 1-(3-thienylmethyl)- (9CI);N-(3-thienylmethyl)piperazine;SCHEMBL2264365;DTXSID10393016;DCEFDTKYYGMWMX-UHFFFAOYSA-N;HMS1741L16;BBL030334;MFCD05189254;STL312004;AKOS009028759;CS-0308998;FT-0651393;EN300-14816;E79782;A888775;Z104472086

Chemical Property of 1-(Thiophen-3-ylmethyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00441mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 277.9ºC at 760 mmHg
• Flash Point: 121.9ºC
• PSA: 43.51000
• Density: 1.129g/cm3
• LogP: 1.42000
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 182.08776963
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

97% ^*data from raw suppliers

1-(3-thienylmethyl)-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CSC=C2

Technology Process of 1-(Thiophen-3-ylmethyl)piperazine

There total 3 articles about 1-(Thiophen-3-ylmethyl)piperazine 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:

C17H20N2O2S → 1-(thiophen-3-ylmethyl)piperazine (130288-91-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1007/s11030-020-10158-3

Reference yield:

tert-butyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate (77278-71-8) → 1-(thiophen-3-ylmethyl)piperazine (130288-91-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h; Time; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00735

Reference yield:

3-thiophene carboxaldehyde (498-62-4) → 1-(thiophen-3-ylmethyl)piperazine (130288-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dichloromethane / 3 h / 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/acs.jmedchem.1c00735

upstream raw materials:

3-thiophene carboxaldehyde

tert-butyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate