(R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid

Base Information

• Chemical Name: (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
• CAS No.: 778571-53-2
• Molecular Formula: C₉H₉Cl₂NO₂
• Molecular Weight: 234.082
• DSSTox Substance ID: DTXSID00351660
• Mol file: 778571-53-2.mol

Synonyms:778571-53-2;(R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid;(R)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acid;(3R)-3-amino-3-(2,4-dichlorophenyl)propanoic acid;L-beta-Homo-beta-(2,4-dichlorophenyl)glycine;(R)-3-Amino-3-(2,4-dichlorophenyl)propionic acid;(R)-3-Amino-3-(2,4-dichlorophenyl)propanoicacid;SCHEMBL5721001;DTXSID00351660;MFCD04113640;AKOS010394309;AC-25377;PS-12496;CS-0157097;N12321;R-3-Amino-3-(2,4-dichlorophenyl)propionic acid;(R)-3-Amino-3-(2,4-dichlorophenyl)-propionic acid

Chemical Property of (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 3.64E-06mmHg at 25°C
• Refractive Index: 1.6
• Boiling Point: 371.1°C at 760 mmHg
• Flash Point: 178.3°C
• PSA: 63.32000
• Density: 1.447g/cm³
• LogP: 3.16820
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.0010339
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

(R)-3-Amino-3-(2,4-dichlorophenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(CC(=O)O)N
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)[C@@H](CC(=O)O)N

Technology Process of (R)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid

There total 2 articles about (R)-3-Amino-3-(2,4-dichlorophenyl)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: 85.0%

malonic acid (141-82-2) + 2,4-dichlorobenzaldeyhde (874-42-0) → 3-amino-3-(2, 4-dichlorophenyl)propanoic acid (152606-17-2,778571-53-2)

Guidance literature:

With ammonium formate; In ethanol; for 7h; Reflux;

DOI:10.1016/j.ejmech.2017.11.065

Reference yield: 85.0%

→ 3-amino-3-(2, 4-dichlorophenyl)propanoic acid (152606-17-2,778571-53-2)

Guidance literature:

With ammonium formate; In ethanol; for 7h; Reflux;

Reference yield:

3-amino-3-(2, 4-dichlorophenyl)propanoic acid (152606-17-2,778571-53-2) → C16H14Cl2N2O6S

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 7 h / 20 °C

2: triethylamine / dichloromethane / 20 °C

With sulfuric acid; triethylamine; In dichloromethane;

DOI:10.1016/j.ejmech.2017.11.065

upstream raw materials:

malonic acid

2,4-dichlorobenzaldeyhde

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