4-(4-Methylpiperazin-1-YL)but-3-ynoic acid

Base Information

• Chemical Name: 4-(4-Methylpiperazin-1-YL)but-3-ynoic acid
• CAS No.: 214487-27-1
• Molecular Formula: C9H14 N2 O2
• Molecular Weight: 182.222
• DSSTox Substance ID: DTXSID40695737
• Wikidata: Q82625005
• Mol file: 214487-27-1.mol

Synonyms:214487-27-1;4-(4-METHYLPIPERAZIN-1-YL)BUT-3-YNOIC ACID;DTXSID40695737;FT-0734386

Chemical Property of 4-(4-Methylpiperazin-1-YL)but-3-ynoic acid

Chemical Property:

• Boiling Point: 332.4±27.0 °C(Predicted)
• PKA: 1.73±0.10(Predicted)
• PSA: 43.78000
• Density: 1.159±0.06 g/cm3(Predicted)
• LogP: -0.45480
• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.105527694
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C#CCC(=O)O

Technology Process of 4-(4-Methylpiperazin-1-YL)but-3-ynoic acid

There total 4 articles about 4-(4-Methylpiperazin-1-YL)but-3-ynoic acid 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:

1-methyl-4-prop-2-ynyl-piperazine (45813-02-3) → 4-(4-methyl-piperazin-1-yl)-but-2-ynoic acid (214487-27-1)

Guidance literature:

1-methyl-4-prop-2-ynyl-piperazine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With carbon dioxide; In tetrahydrofuran; hexane;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-methyl-4-prop-2-ynyl-piperazine (45813-02-3) → 4-(4-methyl-piperazin-1-yl)-but-2-ynoic acid (214487-27-1)

Guidance literature:

1-methyl-4-prop-2-ynyl-piperazine; With n-butyllithium; In tetrahydrofuran; methanol; hexane; at -78 ℃; for 1h;

carbon dioxide; In tetrahydrofuran; hexane;

With water; In tetrahydrofuran; hexane;

Reference yield:

CO2 + 1-methyl-4-prop-2-ynyl-piperazine (45813-02-3) → 4-(4-methyl-piperazin-1-yl)-but-2-ynoic acid (214487-27-1)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃;

upstream raw materials:

1-methyl-4-prop-2-ynyl-piperazine

n-butyllithium

carbon dioxide

Downstream raw materials:

N-[4-[(3-bromophenyl)amino]-3-cyano-6-quinolinyl]-4-(n-methylpiperazino)-2-butynamide