Fenoxacrim

Base Information

• Chemical Name: Fenoxacrim
• CAS No.: 65400-98-8
• Molecular Formula: C13H11 Cl2 N3 O4
• Molecular Weight: 344.154
• European Community (EC) Number: 265-732-7
• DSSTox Substance ID: DTXSID20984015
• Nikkaji Number: J307.389K
• Wikidata: Q27285717
• Mol file: 65400-98-8.mol

Synonyms:Fenoxacrim;Fenoxacrim [ISO];65400-98-8;UNII-OLO7WU1XSK;EINECS 265-732-7;OLO7WU1XSK;N-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;N-(3,4-dichlorophenyl)-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide;C13H11Cl2N3O4;SCHEMBL8941729;DTXSID20984015;C13-H11-Cl2-N3-O4;Q27285717;5-Pyrimidinecarboxamide, N-(3,4-dichlorophenyl)hexahydro-1,3-dimethyl-2,4,6-trioxo-;5-Pyrimidinecarboxamide, N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-1,3-dimethyl-2,4-dioxo-;N-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-1,3-dimethyl-2,4-dioxo-5-pyrimidinecarboxamide;N-(3,4-Dichlorophenyl)-6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Chemical Property of Fenoxacrim

Chemical Property:

• PSA: 93.33000
• Density: 1.636g/cm³
• LogP: 1.42170
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 343.0126612
• Heavy Atom Count: 22
• Complexity: 551

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)O

Technology Process of Fenoxacrim

There total 2 articles about Fenoxacrim 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: 89.0%

1,3-dimethylbarbituric acid (769-42-6) + phenyl N-(3,4-dichlorophenyl)carbamate (57148-27-3) → 1,3-dimethyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carboxylic acid 3,4-dichloro-anilide (65400-98-8)

Guidance literature:

1,3-dimethylbarbituric acid; With sodium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 1h; Sonication;

phenyl N-(3,4-dichlorophenyl)carbamate; In N,N-dimethyl-formamide; at 100 - 130 ℃; for 4h; Sonication;

DOI:10.1016/j.bmc.2016.09.074

Reference yield:

→ 1,3-dimethyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carboxylic acid 3,4-dichloro-anilide (65400-98-8)

Guidance literature:

entspr. Barbitursaeure, Isocyanat;

upstream raw materials:

1,3-dimethylbarbituric acid

phenyl N-(3,4-dichlorophenyl)carbamate