Haloxyfop-P-methyl

Base Information

• Chemical Name: Haloxyfop-P-methyl
• CAS No.: 72619-32-0
• Deprecated CAS: 186673-58-5
• Molecular Formula: C16H13ClF3NO4
• Molecular Weight: 375.732
• Hs Code.: 29333990
• European Community (EC) Number: 406-250-0
• UNII: 7VD796HHTS
• ChEMBL ID: CHEMBL2286458
• DSSTox Substance ID: DTXSID8058249
• Nikkaji Number: J671.317C
• Wikidata: Q27268911
• Mol file: 72619-32-0.mol

Synonyms:(R)-methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoate;haloxyfop-p-methyl

Chemical Property of Haloxyfop-P-methyl

Chemical Property:

• Appearance/Colour: light brown to red brown sticky liquid
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 390.818 °C at 760 mmHg
• PKA: -1.52±0.32(Predicted)
• Flash Point: 190.16 °C
• PSA: 57.65000
• Density: 0.968 g/cm³
• LogP: 4.48640
• Storage Temp.: 2-8°C
• Water Solubility.: 8.74 mg/L at 20 ºC
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 375.0485201
• Heavy Atom Count: 25
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

(R)-HaloxyfopMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, F
• Hazard Codes: Xn;N,N,Xn,F
• Statements: 22-50/53-36-20/21/22-11
• Safety Statements: 2-60-61-36/37-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
• Isomeric SMILES: C[C@H](C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl

Technology Process of Haloxyfop-P-methyl

There total 2 articles about Haloxyfop-P-methyl 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: 80.0%

methanol (67-56-1) + 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine (72537-17-8) + (R)-2-(4-hydroxyphenoxy)propionic acid (94050-90-5) → (R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid methyl ester (72619-32-0)

Guidance literature:

2-fluoro-3-chloro-5-(trifluoromethyl)pyridine; (R)-2-(4-hydroxyphenoxy)propionic acid; With potassium phosphate; tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 50 - 60 ℃; for 2h;

With 1,3,5-trichloro-2,4,6-triazine; In N,N-dimethyl-formamide; at 5 - 25 ℃; for 1.16667h;

methanol; In N,N-dimethyl-formamide;

DOI:10.4067/S0717-97072011000400002

Reference yield:

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

Guidance literature:

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

upstream raw materials:

methanol

2-fluoro-3-chloro-5-(trifluoromethyl)pyridine

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

Downstream raw materials:

(R)-2-[4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)phenoxy]propanoic acid

Refernces

• 1、 -. "Herbicidal mixtures having a synergistic effect". . . Retrieved 2008/06/13.