N-((2,4,5-Trichlorophenoxy)acetyl)-L-leucine

Base Information

• Chemical Name: N-((2,4,5-Trichlorophenoxy)acetyl)-L-leucine
• CAS No.: 66789-78-4
• Molecular Formula: C14H16Cl3NO4
• Molecular Weight: 368.6401
• UNII: P9D2IFX51D
• DSSTox Substance ID: DTXSID701031766
• Wikidata: Q27896255
• Mol file: 66789-78-4.mol

Synonyms:N-((2,4,5-Trichlorophenoxy)acetyl)-L-leucine;66789-78-4;P9D2IFX51D;CCRIS 5327;NSC-36032;UNII-P9D2IFX51D;DTXSID701031766;NSC 36032;Q27896255;L-LEUCINE, N-((2,4,5-TRICHLOROPHENOXY)ACETYL)-

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

Chemical Property:

• Vapor Pressure: 8.52E-14mmHg at 25°C
• Boiling Point: 569.2°C at 760 mmHg
• Flash Point: 298.1°C
• Density: 1.385g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 367.014491
• Heavy Atom Count: 22
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl

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

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

(R)-leucine (328-38-1,21675-61-6,25248-98-0,70-45-1) + 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2) → N-[(2,4,5-trichloro-phenoxy)-acetyl]-D-leucine (66789-78-4,102129-41-9)

Guidance literature:

With sodium hydroxide; benzene;

DOI:10.1021/je60008a017

Reference yield:

L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) + 2-(2,4,5-trichlorophenoxy)acetyl chloride (777-08-2) → N-[(2,4,5-trichloro-phenoxy)-acetyl]-L-leucine (66789-78-4)

Guidance literature:

DOI:10.1021/je60008a017

Reference yield:

→ N-[(2,4,5-trichloro-phenoxy)-acetyl]-L-leucine (66789-78-4)

Guidance literature:

Trichlorphenoxyacetylchlorid, Leu;

DOI:10.1021/jf60218a012

upstream raw materials:

L-leucine

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

(R)-leucine