Epyrifenacil

Base Information

• Chemical Name: Epyrifenacil
• CAS No.: 353292-31-6
• Molecular Formula: C21H16ClF4N3O6
• Molecular Weight: 517.821
• European Community (EC) Number: 885-819-9
• UNII: RAE3HFQ5BK
• DSSTox Substance ID: DTXSID501020547
• Nikkaji Number: J3.184.227A
• Mol file: 353292-31-6.mol

Synonyms:epyrifenacil;S-3100

Chemical Property of Epyrifenacil

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 517.0663756
• Heavy Atom Count: 35
• Complexity: 844

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C=CC=N1)OC2=C(C=C(C(=C2)N3C(=O)C=C(N(C3=O)C)C(F)(F)F)F)Cl

Technology Process of Epyrifenacil

There total 6 articles about Epyrifenacil 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: 92.6%

3-{2-chloro-4-fluoro-5-[2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine (353292-73-6) + dimethyl sulfate (77-78-1) → ethyl 2-[(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyridin-2-yl)oxy]acetate (353292-31-6)

Guidance literature:

With potassium carbonate; In 5,5-dimethyl-1,3-cyclohexadiene; water; at 40 ℃; for 9h; Temperature; Solvent;

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + 3-(4-chloro-2-fluoro-5-((2-oxo-1,2-dihydropyridin-3-yl)oxy)phenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (497866-09-8) → ethyl 2-[(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyridin-2-yl)oxy]acetate (353292-31-6)

Guidance literature:

boron trifluoride diethyl etherate; In 1,2-dichloro-ethane; at 20 ℃; for 4h;

Reference yield:

3-{2-amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine (353293-57-9) + isopentyl nitrite (110-46-3) → ethyl 2-[(3-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}pyridin-2-yl)oxy]acetate (353292-31-6)

Guidance literature:

With copper(II) chloride; copper(I) chloride; In acetonitrile;

upstream raw materials:

diazoacetic acid ethyl ester

3-(4-chloro-2-fluoro-5-((2-oxo-1,2-dihydropyridin-3-yl)oxy)phenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

3-{2-amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine

isopentyl nitrite

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