2,4,5-Trichlorophenyl phenoxyacetate

Base Information

• Chemical Name: 2,4,5-Trichlorophenyl phenoxyacetate
• CAS No.: 17859-53-9
• Molecular Formula: C14H9Cl3O3
• Molecular Weight: 331.583
• DSSTox Substance ID: DTXSID10557515
• Wikidata: Q82439461
• Mol file: 17859-53-9.mol

Synonyms:2,4,5-trichlorophenyl phenoxyacetate;17859-53-9;SCHEMBL1065940;DTXSID10557515

Chemical Property of 2,4,5-Trichlorophenyl phenoxyacetate

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 329.961727
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of 2,4,5-Trichlorophenyl phenoxyacetate

There total 2 articles about 2,4,5-Trichlorophenyl phenoxyacetate 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: 82.0%

2,4,5-trichlorophenol (95-95-4) + Phenoxyacetyl chloride (701-99-5) → 2,4,5-trichlorophenyl phenoxyacetate (17859-53-9)

Guidance literature:

In pyridine; dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1080/15257779408013258

Reference yield:

2,4,5-trichlorophenol (95-95-4) + 2-phenoxyacetic acid (122-59-8) → 2,4,5-trichlorophenyl phenoxyacetate (17859-53-9)

Guidance literature:

With dicyclohexyl-carbodiimide;

DOI:10.1039/j39680000910

Reference yield: 43.0%

2,4,5-trichlorophenyl phenoxyacetate (17859-53-9) + 6-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine (266317-61-7) → N-[1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-2-phenoxyacetamide

Guidance literature:

6-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine; With pyridine; chloro-trimethyl-silane; for 0.166667h;

2,4,5-trichlorophenyl phenoxyacetate; In pyridine; at 40 ℃; for 12h;

With ammonium hydroxide; In pyridine; water;

DOI:10.1002/(SICI)1522-2675(20000510)83:5<928::AID-HLCA928>3.0.CO;2-5

upstream raw materials:

2,4,5-trichlorophenol

Phenoxyacetyl chloride

2-phenoxyacetic acid

Downstream raw materials:

N²,N⁶-bis(phenoxyacetyl)-2,6-diamino-9-(β-D-2-deoxyribofuranosyl) purine

5'-O-dimethoxytrityl-N²,N⁶-bis(phenoxyacetyl)-2,6-diaminopurine 2'-deoxyriboside