N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic acid

Base Information

• Chemical Name: N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic acid
• CAS No.: 66789-80-8
• Molecular Formula: C12H10Cl3NO6
• Molecular Weight: 370.5699
• DSSTox Substance ID: DTXSID30216910
• Wikidata: Q83093231
• Mol file: 66789-80-8.mol

Synonyms:N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic acid;66789-80-8;CCRIS 5325;DTXSID30216910

Chemical Property of N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic acid

Chemical Property:

• Vapor Pressure: 1.41E-15mmHg at 25°C
• Boiling Point: 606.8°Cat760mmHg
• Flash Point: 320.8°C
• Density: 1.629g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 368.957370
• Heavy Atom Count: 22
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic acid

There total 3 articles about N-((2,4,5-Trichlorophenoxy)acetyl)-L-aspartic 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:

(2R)-aspartic acid (1783-96-6,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2) → N-[(2,4,5-trichloro-phenoxy)-acetyl]-D-aspartic acid (66789-80-8,100295-10-1)

Guidance literature:

With ethyl acetate;

DOI:10.1021/je60008a017

Reference yield:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + 2,4,5-Trichlorophenoxyacetic acid (93-76-5) → N-[(2,4,5-trichloro-phenoxy)-acetyl]-L-aspartic acid (66789-80-8)

Guidance literature:

With sulfuric acid; xylene; Entfernen des entstehenden Wassers;

DOI:10.1021/je60008a017

Reference yield:

→ N-[(2,4,5-trichloro-phenoxy)-acetyl]-L-aspartic acid (66789-80-8)

Guidance literature:

Trichlorphenoxyacetylchlorid, Asp;

DOI:10.1021/jf60218a012

upstream raw materials:

L-Aspartic acid

2,4,5-Trichlorophenoxyacetic acid

(2R)-aspartic acid

2-(2,4,5-trichlorophenoxy)acetyl chloride