3-(3-Aminophenyl)propanoic acid

Base Information

• Chemical Name: 3-(3-Aminophenyl)propanoic acid
• CAS No.: 1664-54-6
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 670-495-1
• DSSTox Substance ID: DTXSID501303296
• Nikkaji Number: J80.278F
• Wikidata: Q29042853
• Mol file: 1664-54-6.mol

Synonyms:3-amino-3-phenylpropionic acid;3A3PPA;N-acetyl-3-amino-3-phenylpropionic acid

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

Chemical Property:

• Vapor Pressure: 1.09E-05mmHg at 25°C
• Melting Point: 99 °C
• Refractive Index: 1.597
• Boiling Point: 356.17 °C at 760 mmHg
• PKA: 4.71±0.10(Predicted)
• Flash Point: 169.206 °C
• PSA: 63.32000
• Density: 1.218 g/cm³
• LogP: 1.86720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Aminophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)CCC(=O)O
• Uses: 3-(3-Aminophenyl)propionic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

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

There total 11 articles about 3-(3-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: 84.0%

(E)-3-Nitrocinnamic acid (555-68-0,1772-76-5) → 3-(3-aminophenyl)propionic acid (1664-54-6)

Guidance literature:

With methanol; hydrogen; acetic acid; palladium on activated charcoal;

DOI:10.1021/jm00038a013

Reference yield:

3-(3-nitrophenyl)propanoic acid (1664-57-9) → 3-(3-aminophenyl)propionic acid (1664-54-6)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

m-Nitrocinnamic Acid (555-68-0,1772-76-5) → 3-(3-aminophenyl)propionic acid (1664-54-6)

Guidance literature:

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

upstream raw materials:

3-amino-trans-cinnamic acid

(E)-3-Nitrocinnamic acid

3-(3-nitrophenyl)propanoic acid

m-Nitrocinnamic Acid

Downstream raw materials:

3-(3-amino-2,4,6-tribromo-phenyl)-propionic acid

ω-(3-amino-2,4,6-triiodophenyl)propionic acid

3-(3-Amino-phenyl)-propionyl chloride

1,3-dipalmitoylglycerol 2-[(3-amino-2,4,6-triiodophenyl)propionate]