3-(4-Phenyl-piperazin-1-yl)-propionic acid

Base Information

• Chemical Name: 3-(4-Phenyl-piperazin-1-yl)-propionic acid
• CAS No.: 124078-87-1
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.298
• Hs Code.: 2933599090
• NSC Number: 87111
• DSSTox Substance ID: DTXSID20293073
• Mol file: 124078-87-1.mol

Synonyms:124078-87-1;3-(4-phenylpiperazin-1-yl)propanoic acid;3-(4-Phenyl-piperazin-1-yl)-propionic acid;3-(4-Phenyl-1-piperazinyl)propanoic acid;1-Piperazinepropanoic acid, 4-phenyl-;NSC87111;NCIOpen2_005377;SCHEMBL2114983;DTXSID20293073;BBL030389;MFCD05668055;NSC-87111;STL374133;AKOS000352268;SY065829;VS-09781;BB 0218024;CS-0117005;FT-0660658;F81418

Chemical Property of 3-(4-Phenyl-piperazin-1-yl)-propionic acid

Chemical Property:

• Melting Point: 187.6-188.6 °C(Solv: water (7732-18-5))
• Boiling Point: 412.7±40.0 °C(Predicted)
• PKA: 4.55±0.10(Predicted)
• PSA: 43.78000
• Density: 1.162±0.06 g/cm3(Predicted)
• LogP: 1.28620
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Phenyl-piperazin-1-yl)-propionicacid 98% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCC(=O)O)C2=CC=CC=C2

Technology Process of 3-(4-Phenyl-piperazin-1-yl)-propionic acid

There total 24 articles about 3-(4-Phenyl-piperazin-1-yl)-propionic 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-(2-ethoxycarbonylethyl)-4-phenyl-piperazine (56968-65-1) → 3-(4-phenyl-1-piperazinyl)-propionic acid (124078-87-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1016/j.bmc.2007.11.049

Reference yield:

methyl 3-(4-phenylpiperazin-1-yl)propanoate → 3-(4-phenyl-1-piperazinyl)-propionic acid (124078-87-1)

Guidance literature:

With sodium hydroxide; at 40 ℃; for 0.5h;

DOI:10.1016/j.bioorg.2018.05.006

Reference yield:

C15H22N2O3 → 3-(4-phenyl-1-piperazinyl)-propionic acid (124078-87-1)

Guidance literature:

With sodium hydroxide; In water; at 40 ℃; for 2h;

DOI:10.1016/j.ejmech.2020.113124

upstream raw materials:

3-[4-(phenyl)-piperazin-1-yl]-propionitrile

4-phenyl-1-piperazine

Ethyl 3-bromopropionate

1-(2-ethoxycarbonylethyl)-4-phenyl-piperazine

Downstream raw materials:

C₂₈H₂₉N₅O₂

C₂₈H₂₈FN₅O₂

homo-camptothecin-20-O-3-(4-phenyl-1-piperazinyl)propionate

Refernces

• 1、 Kilic, Burcu,Gulcan, Hayrettin O.,Aksakal, Fatma,Ercetin, Tugba,Oruklu, Nihan,Umit Bagriacik,Dogruer, Deniz S.. "Design and synthesis of some new carboxamide and propanamide derivatives bearing phenylpyridazine as a core ring and the investigation of their inhibitory potential on in-vitro acetylcholinesterase and butyrylcholinesterase". . p. 235 - 249. Retrieved 2018/05/24.
• 2、 -. "1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF". Page/Page column 23. . Retrieved 2008/12/07.