(Z)-Fenpyroximate

Base Information

• Chemical Name: (Z)-Fenpyroximate
• CAS No.: 111812-58-9
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.496
• Hs Code.: 29331990
• European Community (EC) Number: 601-123-8,811-280-6
• UNII: 6KU62C19KY
• DSSTox Substance ID: DTXSID701106000
• Nikkaji Number: J381.681H,J449.811I
• Wikidata: Q1362242
• Mol file: 111812-58-9.mol

Synonyms:Fenpyroximate, (Z)-;149054-53-5;(Z)-Fenpyroximate;cis-Fenpyroximate;Z)-FENPYROXIMATE;6KU62C19KY;Z)-FENPYROXIMATE STANDARD;tert-butyl 4-[[(Z)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate;111812-58-9;Benzoic acid, 4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester, (Z)-;Benzoic acid, 4-((((Z)-((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)-, 1,1-dimethylethyl ester;UNII-6KU62C19KY;DTXSID701106000;(E)-tert-butyl 4-(((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxy)methyl)benzoate;(Z)-Fenpyroximate 100 microg/mL in Acetonitrile;J-002634;Q1362242;5-FLUORO-1,2,3,4-TETRAHYDRO-QUINOLINEHYDROCHLORIDE;t-Butyl (E)-a-(1,3-dimethyl-5-phenoxypyrazol-4-ylmethyleneamino-oxy)-p-toluate;4-[(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl]benzoic acid tert-butyl ester

Chemical Property of (Z)-Fenpyroximate

Chemical Property:

• Appearance/Colour: light beige crystalline
• Vapor Pressure: 1.98E-12mmHg at 25°C
• Melting Point: 99-102 °C
• Refractive Index: 1.549
• Boiling Point: 546.215 °C at 760 mmHg
• PKA: 1.53±0.10(Predicted)
• Flash Point: 284.141 °C
• PSA: 74.94000
• Density: 1.136 g/cm³
• LogP: 5.02680
• Storage Temp.: 0-6°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 421.20015635
• Heavy Atom Count: 31
• Complexity: 592

Purity/Quality:

99% ^*data from raw suppliers

Fenpyroximate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn,N
• Statements: 20-50/53
• Safety Statements: 22-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
• Isomeric SMILES: CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
• Uses: A pesticide residue in crops. The agricultural active ingredient is a pesticide selected from the group consisting of herbicides, insecticides, acaricides, fungicides, nematocides, and bactericides.

Technology Process of (Z)-Fenpyroximate

There total 7 articles about (Z)-Fenpyroximate 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: 79.0%

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde oxime (149054-67-1) → fenpyroximate (111812-58-9,134098-61-6)

Guidance literature:

DOI:10.1016/j.bmcl.2005.03.082

Reference yield:

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde oxime (149054-67-1) + 4-(bromomethyl)benzoic acid 1,1-dimethylethyl ester (108052-76-2) → fenpyroximate (111812-58-9,134098-61-6)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide;

Reference yield:

1,3-dimethyl-5-pyrazolone (2749-59-9) → fenpyroximate (111812-58-9,134098-61-6)

Guidance literature:

Multi-step reaction with 4 steps

1: POCl₃ / 120 °C

2: KOH / dimethylformamide / 120 °C

3: NH₂OH; NaOH / methanol / 60 °C

With potassium hydroxide; sodium hydroxide; hydroxylamine; trichlorophosphate; In methanol; N,N-dimethyl-formamide; 1: Vilsmeier-Haack chloroformylation / 4: Williamson synthesis;

DOI:10.1016/j.bmcl.2005.03.082

upstream raw materials:

1,3-dimethyl-5-phenoxypyrazole-4-carbaldehyde oxime

1,3-dimethyl-5-pyrazolone

5-chloro-4-formyl-1,3-dimethylpyrazole

phenol

Refernces

• 1、 Park, Hyun-Ja,Lee, Kyung,Park, Su-Jin,Ahn, Bangle,Lee, Jong-Cheol,Cho, HeeYeong,Lee, Kee-In. "Identification of antitumor activity of pyrazole oxime ethers". . p. 3307 - 3312. Retrieved 2007/10/03.