Novaluron

Base Information

• Chemical Name: Novaluron
• CAS No.: 116714-46-6
• Molecular Formula: C17H9ClF8N2O4
• Molecular Weight: 492.71
• European Community (EC) Number: 601-443-8
• UNII: Z8H1B3CW0B
• DSSTox Substance ID: DTXSID5034773
• Nikkaji Number: J483.457G
• Wikipedia: Novaluron
• Wikidata: Q1900206
• Metabolomics Workbench ID: 56277
• ChEMBL ID: CHEMBL1869031
• Mol file: 116714-46-6.mol

Synonyms:Diamond(insecticide);Difluorobenzamide;Oscar Super;Pedestal;Rimon;

Chemical Property of Novaluron

Chemical Property:

• Appearance/Colour: white
• Melting Point: 177.5oC
• Refractive Index: 1.513
• PKA: 8.68±0.46(Predicted)
• Flash Point: 202℃
• PSA: 76.66000
• Density: 1.601 g/cm³
• LogP: 5.84760
• Storage Temp.: 0-6°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 492.0123098
• Heavy Atom Count: 32
• Complexity: 661

Purity/Quality:

99% , ^*data from raw suppliers

Novaluron ^*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

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
• Uses: Novaluron is an insect growth regulator and shows killing effect against various larvae of genus Lepidoptera, Coleoptera, Hemiptera and Diptera. Insecticide.

Technology Process of Novaluron

There total 4 articles about Novaluron 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: 82.0%

2,6-difluorobenzoyl isocyanate (60731-73-9) + 3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline (116714-47-7) → 1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea (116714-46-6)

Guidance literature:

Heating;

Reference yield:

2,6-difluorobenzoyl isocyanate (60731-73-9) + 3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline (116714-47-7) → 1-benzoylurea (614-22-2) + 1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea (116714-46-6)

Guidance literature:

In chlorobenzene;

Reference yield:

2-chloro 4-aminophenol (3964-52-1) → 1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea (116714-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / KOH / toluene; dimethylsulfoxide / 3 h / 0 °C

2: 82 percent / Heating

With potassium hydroxide; In dimethyl sulfoxide; toluene;

upstream raw materials:

2,6-difluorobenzoyl isocyanate

3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline

2-chloro 4-aminophenol

Refernces

• 1、 -. "Compositions for the systemic control of parasites of warm-blooded animals". . . Retrieved 2008/06/13.
• 2、 -. "N-(2,6-difluorobenzoyl)-N'-3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy) ethoxy] phenyl urea having insecticidal activity". . . Retrieved 2008/06/13.