Clodinafop

Base Information

• Chemical Name: Clodinafop
• CAS No.: 114420-56-3
• Molecular Formula: C14H11ClFNO4
• Molecular Weight: 311.697
• UNII: I5VL6U0SD8
• DSSTox Substance ID: DTXSID9042332
• Nikkaji Number: J661.715H
• Wikidata: Q27225678
• ChEMBL ID: CHEMBL2251592
• Mol file: 114420-56-3.mol

Synonyms:clodinafop

Chemical Property of Clodinafop

Chemical Property:

• Vapor Pressure: 1.83E-07mmHg at 25°C
• Melting Point: 211-212℃
• Refractive Index: 1.574
• Boiling Point: 410.2 °C at 760 mmHg
• PKA: 3.12±0.10(Predicted)
• Flash Point: 201.9 °C
• PSA: 68.65000
• Density: 1.407 g/cm³
• LogP: 3.51830
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 311.0360637
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

98%Min ^*data from raw suppliers

(R)-Clodinafop ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
• Isomeric SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
• Uses: (R)-Clodinafop is used as herbicides for weed control in wheat.

Technology Process of Clodinafop

There total 3 articles about Clodinafop 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: 97.1%

5-chloro-2,3-difluoropyridine (89402-43-7) + (R)-2-(4-hydroxyphenoxy)propionic acid (94050-90-5) → clodinafop (114420-56-3)

Guidance literature:

(R)-2-(4-hydroxyphenoxy)propionic acid; With sodium hydroxide; In water; dimethyl sulfoxide; at 45 ℃; for 1h; Autoclave; Large scale;

5-chloro-2,3-difluoropyridine; In water; dimethyl sulfoxide; at 95 ℃; for 6h; Reagent/catalyst; Concentration; Solvent; Temperature; Large scale;

Reference yield:

→ clodinafop (114420-56-3)

Guidance literature:

Reference yield:

→ clodinafop (114420-56-3) + (R)(+)-[4-(5-chloro-3-fluoropyridin-2-yloxy)-phenoxy]-propionic acid

Guidance literature:

upstream raw materials:

5-chloro-2,3-difluoropyridine

(R)-2-(4-hydroxyphenoxy)propionic acid

Downstream raw materials:

2-propynyl (R)-2-[4-(5-chloro-3-fluoro-2-pyridinyloxy)-phenoxy]-propionate

Refernces

• 1、 -. "Synthesis method of clodinafop-propargyl". Paragraph 0015; 0017; 0019; 0021. . Retrieved 2021/01/29.
• 2、 -. "Phenoxyphenoxypropionic acid ethyl ester compound as well as preparation method and application thereof". Paragraph 0041; 0043; 0047; 0048. . Retrieved 2019/08/30.