Haloxyfop-P

Base Information

• Chemical Name: Haloxyfop-P
• CAS No.: 95977-29-0
• Molecular Formula: C15H11ClF3NO4
• Molecular Weight: 361.705
• Hs Code.: 2933399025
• European Community (EC) Number: 619-184-4
• UNII: I57833604I
• DSSTox Substance ID: DTXSID90904725
• Nikkaji Number: J1.666.510J
• Wikidata: Q2337168
• Metabolomics Workbench ID: 151025
• ChEMBL ID: CHEMBL1233202
• Mol file: 95977-29-0.mol

Synonyms:Haloxyfop-P;95977-29-0;Haloxyfop-P [ISO];R-haloxyfop-acid;(+)-haloxyfop;(R)-haloxyfop-acid;(2R)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid;(R)-2-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoic acid;UNII-I57833604I;(2r)-2-(4-{[3-Chloro-5-(Trifluoromethyl)pyridin-2-Yl]oxy}phenoxy)propanoic Acid;I57833604I;H1L;haloxyfop-p (free acid);HALOXYFOP INHIBITOR;Haloxyfop-R;1uys;(R)-haloxyfop;Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, (2R)-;PROPANOIC ACID, 2-(4-((3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)OXY)PHENOXY)-, (2R)-;4g2r;HALOXYFOP, (+)-;SCHEMBL119996;(R)-(+)-HALOXYFOP;CHEMBL1233202;CHEBI:47454;DTXSID90904725;DB07870;1ST22816;Haloxyfop-P, PESTANAL(R), analytical standard;Q2337168;Haloxyfop-R (free acid) 100 microg/mL in Acetonitrile;(R)-2-[4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid;(2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;(R)-2-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoicacid;(r)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid;PROPANOIC ACID, 2-(4-((3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)OXY)PHENOXY)-, (R)-

Chemical Property of Haloxyfop-P

Chemical Property:

• Vapor Pressure: 8.17E-08mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 420.3 °C at 760 mmHg
• PKA: 3.12±0.10(Predicted)
• Flash Point: 208 °C
• PSA: 55.76000
• Density: 1.442 g/cm³
• LogP: 5.00300
• Solubility.: Dichloromethane; Ethyl Acetate; Ether
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 361.0328700
• Heavy Atom Count: 24
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

Haloxyfop-P PESTANAL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-52/53

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
• Isomeric SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
• Uses: Haloxyfop-P is a herbicide for controlling weeds in cassia fields. A pesticide residue in vegetables.

Technology Process of Haloxyfop-P

There total 6 articles about Haloxyfop-P 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: 95.0%

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) + (R)-2-(4-hydroxyphenoxy)propionic acid (94050-90-5) → (R)-2-[4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)phenoxy]propanoic acid (95977-29-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield: 69.0%

(R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid methyl ester (72619-32-0) → (R)-2-[4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)phenoxy]propanoic acid (95977-29-0)

Guidance literature:

(R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid methyl ester; With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water;

With hydrogenchloride; In water; pH=1;

DOI:10.1128/AAC.02574-13

Reference yield:

2-(4'-hydroxyphenoxy)-3-chloro-5-trifluoromethylpyridine (69045-89-2) → (R)-2-[4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)phenoxy]propanoic acid (95977-29-0)

Guidance literature:

With sodium hydroxide; potassium carbonate; In ethanol; water; dimethyl sulfoxide;

upstream raw materials:

2-(4'-hydroxyphenoxy)-3-chloro-5-trifluoromethylpyridine

(S)-2-chloropropanoic acid

methyl-(S)-2-chloropropionate

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

Refernces

• 1、 Hui, Yang Zi. "Synthesis and herbicidal activity of 2-(4-aryloxyphenoxy)propionamides". . p. 385 - 387. Retrieved 2018/09/29.
• 2、 -. "Tetrahydro naphthalene-2-aryloxy phenoxy alkyl ketone compound with anti-tumor activity and pharmaceutical application of compound". Paragraph 0019; 0020; 0021. . Retrieved 2018/09/11.