Fenpyrazamine

Base Information

• Chemical Name: Fenpyrazamine
• CAS No.: 473798-59-3
• Molecular Formula: C₁₇H₂₁N₃O₂S
• Molecular Weight: 331.439
• European Community (EC) Number: 639-799-1
• UNII: 2N3SPH9RQG
• DSSTox Substance ID: DTXSID2074742
• Nikkaji Number: J2.866.826K
• Wikidata: Q2855604
• Mol file: 473798-59-3.mol

Synonyms:Fenpyrazamine;473798-59-3;Fenpyrazamine [ISO];UNII-2N3SPH9RQG;2N3SPH9RQG;S-allyl 5-amino-2,3-dihydro-2-isopropyl-3-oxo-4-(o-tolyl)pyrazole-1-carbothioate;S-2-propen-1-yl 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioate;5-Amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioic acid S-2-propen-1-yl ester;Fenpyrazamine 100 microg/mL in Acetonitrile;Fenpyrazamin;Botrycide;SCHEMBL68482;DTXSID2074742;CHEBI:83327;AMY36937;AKOS016011990;S-prop-2-enyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate;NS00040716;Q2855604;S-Allyl 5-amino-2-isopropyl-3-oxo-4-(o-tolyl)-2,3-dihydro-1H-pyrazole-1-carbothioate;1H-Pyrazole-1-carbothioic acid, 5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-, S-2-propen-1-yl ester;5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester;S-allyl 5-amino-2-isopropyl-4-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-pyrazole-1-carbothioat

Chemical Property of Fenpyrazamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 453.0±55.0 °C(Predicted)
• PKA: 3.22±0.20(Predicted)
• Density: 1.227
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 331.13544809
• Heavy Atom Count: 23
• Complexity: 530

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fenpyrazamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SCC=C)N
• Uses: Fenpyrazamine is a fungicide used in the treatment of vegetables, wheat and grains. Pesticide component. Used against botrytus cinerea.

Technology Process of Fenpyrazamine

There total 3 articles about Fenpyrazamine 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:

isopropyl methanesulfonate (926-06-7) + 5-amino-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester (473799-16-5) → 5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester (473798-59-3)

Guidance literature:

5-amino-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester; With lithium hydroxide monohydrate; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene;

isopropyl methanesulfonate; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; at 85 ℃;

Reference yield:

isopropyl methanesulfonate (926-06-7) + 1-[(2-propenylthio)carbonyl]-4-(2-methylphenyl)-5-amino-1H-pyrazol-3-one lithium salt → 5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester (473798-59-3)

Guidance literature:

In tetrahydrofuran; xylene; Reflux; Industry scale;

Reference yield:

4-(2-methylphenyl)-5-amino-1H-pyrazol-3-one (247184-07-2) → 5-amino-2-isopropyl-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester (473798-59-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / water; methanol; xylene / 15 °C / pH 11.5

1.2: pH 6

2.1: lithium chloride hydrate / tetrahydrofuran; xylene / 75.01 Torr / Industry scale; Reflux

3.1: tetrahydrofuran; xylene / Reflux; Industry scale

With lithium chloride hydrate; sodium hydroxide; In tetrahydrofuran; methanol; water; xylene;

upstream raw materials:

isopropyl methanesulfonate

4-(2-methylphenyl)-5-amino-1H-pyrazol-3-one

5-amino-3-oxo-4-o-tolyl-2,3-dihydropyrazole-1-thiocarboxylic acid S-allyl ester

Refernces

• 1、 -. "Method for Purifying a Pyrazolinone Derivative". Page/Page column 6. . Retrieved 2012/04/04.