3-Amino-3-(2-nitrophenyl)propanoic acid

Base Information

• Chemical Name: 3-Amino-3-(2-nitrophenyl)propanoic acid
• CAS No.: 5678-48-8
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• European Community (EC) Number: 692-398-3
• DSSTox Substance ID: DTXSID80972231
• Nikkaji Number: J1.843.594B
• ChEMBL ID: CHEMBL4162431
• Mol file: 5678-48-8.mol

Synonyms:3-amino-3-(2-nitrophenyl)propionic acid;3-ANPPA

Chemical Property of 3-Amino-3-(2-nitrophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 6.13E-08mmHg at 25°C
• Melting Point: 218℃
• Refractive Index: 1.612
• Boiling Point: 423.8 °C at 760 mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 210.1 °C
• PSA: 109.14000
• Density: 1.404 g/cm³
• LogP: 2.29280
• Storage Temp.: Store at 0-5°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-3-(2-nitrophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(CC(=O)O)N)[N+](=O)[O-]
• Uses: 3-Amino-3-(2-nitrophenyl)propionic acid is used in chemical research.

Technology Process of 3-Amino-3-(2-nitrophenyl)propanoic acid

There total 14 articles about 3-Amino-3-(2-nitrophenyl)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: 75.0%

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9)

Guidance literature:

With ammonium acetate; In butan-1-ol; Reflux;

DOI:10.1016/j.ejmech.2018.07.005

Reference yield: 45.0%

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) + 3-(2-nitrophenyl)-2-carboxy-2-propenoic acid (103582-31-6)

Guidance literature:

With ammonium acetate; In butan-1-ol; Heating;

DOI:10.1007/s11176-005-0377-9

Reference yield: 40.0%

malonic acid (141-82-2) + 2-nitro-benzaldehyde (552-89-6) → 3-amino-3-(2-nitrophenyl)propionic acid (5678-48-8,732242-02-3,756814-14-9) + 3-N-Acetyl-amino-3-(o-nitrophenyl)-propionsaeure (103582-32-7) + 2-nitrocinnamic acid (612-41-9)

Guidance literature:

With ammonium acetate; In acetic acid; at 100 ℃; for 5h;

DOI:10.1002/ardp.19863190603

upstream raw materials:

ethanol

3-hydroxyamino-3-(2-nitro-phenyl)-propionohydroxamic acid

ethyl 3-(2-nitrophenyl)acrylate

malonic acid

Downstream raw materials:

2-(1H-indazol-3-yl)acetic acid

acide trifluoroacetylamino-3 (nitro-2 phenyl)-3 propionique

3-N^α-tBoc-amino-3-(2-nitrophenyl)propionic acid

3-(2-nitrophenyl)-3-(picolinamido)propanoic acid