Fluroxypyr-meptyl

Base Information

• Chemical Name: Fluroxypyr-meptyl
• CAS No.: 81406-37-3
• Molecular Formula: C15H21Cl2FN2O3
• Molecular Weight: 367.248
• Hs Code.: 2933399990
• European Community (EC) Number: 279-752-9
• UNII: 9W47M4YJ3Q
• DSSTox Substance ID: DTXSID5034303
• Nikkaji Number: J296.084B
• Wikidata: Q27273305
• ChEMBL ID: CHEMBL1882270
• Mol file: 81406-37-3.mol

Synonyms:4-amino-3,5-dichloro-6-fluoro-2-pyridyloxyacetic acid methylheptyl ester;fluroxypyr methylheptyl ester;fluroxypyr-meptyl;XRM 5084;XRM-5084

Chemical Property of Fluroxypyr-meptyl

Chemical Property:

• Appearance/Colour: crystalloid
• Vapor Pressure: 1.15E-07mmHg at 25°C
• Melting Point: 56-57oC
• Refractive Index: 1.523
• Boiling Point: 431.9 °C at 760 mmHg
• PKA: -1.55±0.10(Predicted)
• Flash Point: 215 °C
• PSA: 74.44000
• Density: 1.268 g/cm³
• LogP: 4.97180
• Solubility.: soluble in Methanol
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 366.0913261
• Heavy Atom Count: 23
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Fluroxypyr-1-methylheptyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F
• Uses: Herbicide.

Technology Process of Fluroxypyr-meptyl

There total 3 articles about Fluroxypyr-meptyl 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: 93.3%

4-amino-3,5-dichloro-6-fluoro-2-pyridinol (94133-62-7) + chloro-acetic acid-(1-methyl-heptyl ester) (20411-47-6) → 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-methylheptyl ester (81406-37-3)

Guidance literature:

In N,N-dimethyl acetamide; at 150 ℃; for 3h;

Reference yield:

2,3,4,5,6-pentachloropyridine (2176-62-7) → 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-methylheptyl ester (81406-37-3)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride / N,N-dimethyl acetamide / 3 h / 120 °C / Molecular sieve

2: ammonium hydroxide / N,N-dimethyl acetamide / 10 °C

3: sodium hydroxide / N,N-dimethyl acetamide / 3 h / 100 °C

4: N,N-dimethyl acetamide / 3 h / 150 °C

With potassium fluoride; ammonium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In N,N-dimethyl acetamide;

Reference yield:

3,5-dichloro-2,4,6-trifluoropyridine (1737-93-5,259875-95-1) → 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-methylheptyl ester (81406-37-3)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / N,N-dimethyl acetamide / 10 °C

2: sodium hydroxide / N,N-dimethyl acetamide / 3 h / 100 °C

3: N,N-dimethyl acetamide / 3 h / 150 °C

With ammonium hydroxide; sodium hydroxide; In N,N-dimethyl acetamide;

upstream raw materials:

4-amino-3,5-dichloro-6-fluoro-2-pyridinol

chloro-acetic acid-(1-methyl-heptyl ester)

2,3,4,5,6-pentachloropyridine

3,5-dichloro-2,4,6-trifluoropyridine

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