3-(4-Aminophenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Aminophenyl)propanoic acid
• CAS No.: 2393-17-1
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 29224999
• European Community (EC) Number: 219-245-1
• NSC Number: 25083
• UNII: 00J8IS9IQI
• DSSTox Substance ID: DTXSID90178641
• Nikkaji Number: J80.470C
• Wikidata: Q10395560
• Metabolomics Workbench ID: 147741
• Mol file: 2393-17-1.mol

Synonyms:3-(4-Aminophenyl)propionic acid;2393-17-1;3-(4-Aminophenyl)propanoic acid;4-AMINOHYDROCINNAMIC ACID;Benzenepropanoic acid, 4-amino-;3-(p-Aminophenyl)propionic acid;MFCD00017118;p-Aminohydrocinnamic acid;00J8IS9IQI;EINECS 219-245-1;.beta.-(p-Aminophenyl)propionic acid;NSC-25083;.beta.-(4-Aminophenyl)propionic acid;Benzenepropanoic acid,4-amino-;2ay1;p-amino hydrocinnamic acid;UNII-00J8IS9IQI;4-aminobenzenepropanoic acid;Cambridge id 5141496;Oprea1_773215;SCHEMBL73828;3-(4-Aminophenyl)propionicacid;WXOHKMNWMKZMND-UHFFFAOYSA-;DTXSID90178641;3-(4-amino-phenyl)propionic acid;3-(4-Aminophenyl) propionic acid;beta-(p-Aminophenyl)propionic acid;HMS1578H03;HMS3604F11;3-(4-amino-phenyl)-propionic acid;NSC25083;3-(4-Amino-phenyl)-propanoic acid;3-(4-Aminophenyl)propanoic acid #;BBL002117;NSC 25083;STK520546;AKOS000297350;AB01235;CS-W019508;DB03210;GS-5882;SDCCGMLS-0064489.P001;3-(4-Aminophenyl)propionic acid, 97%;AHC;A1073;FT-0613639;EN300-65654;J-510647;Q27094139;F9995-0357;Z336079452

Chemical Property of 3-(4-Aminophenyl)propanoic acid

Chemical Property:

• Appearance/Colour: Cream-colored solid
• Vapor Pressure: 1.57E-05mmHg at 25°C
• Melting Point: 133-137 °C(lit.)
• Refractive Index: 1.597
• Boiling Point: 351 °C at 760 mmHg
• PKA: 4.52±0.10(Predicted)
• Flash Point: 166.1 °C
• PSA: 63.32000
• Density: 1.217 g/cm³
• LogP: 1.86720
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

3-(4-Aminophenyl)propionic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(=O)O)N
• Uses: 3-(4-Aminophenyl)propionic Acid can be used to treat urinary tract diseases and conditions.

Technology Process of 3-(4-Aminophenyl)propanoic acid

There total 19 articles about 3-(4-Aminophenyl)propanoic 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: 99.0%

4-nitro-trans-cinnamic acid (882-06-4) → 3-(4-aminophenyl)propionic acid (2393-17-1)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; acetic acid; zinc; In water; at 20 ℃;

DOI:10.1021/jo500801t

Reference yield: 95.0%

p-nitrocinnamic acid (619-89-6) → 3-(4-aminophenyl)propionic acid (2393-17-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 55 ℃; for 4h; under 760.051 Torr;

DOI:10.1039/c6ob02583h

Reference yield: 95.0%

p-azidocinnamic acid (30980-75-7) → 3-(4-aminophenyl)propionic acid (2393-17-1)

Guidance literature:

With 10% Pd/C; diphenyl sulfide; hydrogen; In methanol; at 20 ℃; for 24h; chemoselective reaction;

DOI:10.1002/adsc.200700571

upstream raw materials:

p-nitrocinnamic acid

p-aminocinnamic acid

3-(4-nitrophenyl)propionic acid

4-nitro-trans-cinnamic acid

Downstream raw materials:

3-{4-[(N-benzyloxycarbonyl-glycyl)-amino]-phenyl}-propionic acid

methyl 3-(4-aminophenyl)propionate

β-(4-azidophenyl)-propanoic acid

2-[4-(2-Carboxy-ethyl)-phenylamino]-benzoic acid

Refernces

• 1、 Nakajima, Yuya,Kawaguchi, Mitsuyasu,Ieda, Naoya,Nakagawa, Hidehiko. "A Set of Highly Sensitive Sirtuin Fluorescence Probes for Screening Small-Molecular Sirtuin Defatty-Acylase Inhibitors". . p. 617 - 624. Retrieved 2021.
• 2、 -. "Amine compound and process for preparation thereof, liquid crystal aligning, liquid crystal alignment film, the liquid crystal display element (by machine translation)". Paragraph 0229; 0230. . Retrieved 2016/12/01.