4-(Piperazin-1-yl)benzoic acid

Base Information

• Chemical Name: 4-(Piperazin-1-yl)benzoic acid
• CAS No.: 85474-75-5
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.244
• Hs Code.: 29335990
• European Community (EC) Number: 630-108-9
• DSSTox Substance ID: DTXSID30360806
• Mol file: 85474-75-5.mol

Synonyms:4-(piperazin-1-yl)benzoic acid;85474-75-5;4-piperazin-1-ylbenzoic Acid;4-Piperazin-1-yl-benzoic acid;4-(1-piperazinyl)benzoic acid;4-(Piperazin-1-yl)-benzoic acid;4-(piperazin-1-yl)benzoicacid;MFCD03444417;1-(4-carboxyphenyl) piperazine;Benzoic acid,4-(1-piperazinyl)-;4-PIPERAZIN-1-YL-BENZOICACID;Oprea1_348258;SCHEMBL598515;4-(1-Piperazine)benzoic Acid;4-(1-piperazinyl)-benzoic acid;AMY4770;DTXSID30360806;IAGYKSQGLCAAAD-UHFFFAOYSA-N;AKOS000101199;AC-6297;FS-2140;4-(PIPERAZIN-1-YL)BENZOIC ACIDACID;BB 0260462;CS-0157480;FT-0604290;EN300-140030;F13655;AP-906/41429350;J-513817

Chemical Property of 4-(Piperazin-1-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.71E-08mmHg at 25°C
• Melting Point: 295 °C
• Refractive Index: 1.58
• Boiling Point: 424.7 °C at 760 mmHg
• PKA: 5.02±0.10(Predicted)
• Flash Point: 210.6 °C
• PSA: 52.57000
• Density: 1.211 g/cm³
• LogP: 1.18820
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

4-(Piperazin-1-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(Piperazin-1-yl)benzoic acid

There total 5 articles about 4-(Piperazin-1-yl)benzoic 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: 82.0%

→ 4-(piperazin-1-yl)benzoic acid (85474-75-5)

Guidance literature:

Reference yield: 61.0%

4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)benzoic acid (162046-66-4) → 4-(piperazin-1-yl)benzoic acid (85474-75-5)

Guidance literature:

In hydrogenchloride; methanol;

Reference yield:

4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester (234082-33-8) → 4-(piperazin-1-yl)benzoic acid (85474-75-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol

2: hydrogenchloride; methanol

With sodium hydroxide; In hydrogenchloride; methanol; ethanol;

upstream raw materials:

4-fluorobenzoic acid ethyl ester

4-(4-(1,1-dimethylethoxycarbonyl)piperazin-1-yl)benzoic acid

4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

4-(4-cyclopropanecarbonyl-piperazin-1-yl)-benzoic acid

{(S)-1-[(S)-2-(4-{4'-[4-(4-cyclopropanecarbonyl-piperazin-1-yl)-benzoylamino]-biphenyl-4-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid methyl ester

N-(4-bromo-phenyl)-4-(4-cyclopropanecarbonyl-piperazin-1-yl)-benzamide

(S)-2-(4-{4'-[4-(4-Cyclopropanecarbonyl-piperazin-1-yl)-benzoylamino]-biphenyl-4-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Piperazine-substituted aryl and aralkyl carboxylic acids useful for treating infirmaties caused by excess lipids or thrombocyte". . . Retrieved 2008/06/13.