Bifenazate

Base Information

• Chemical Name: Bifenazate
• CAS No.: 149877-41-8
• Molecular Formula: C17H20 N2 O3
• Molecular Weight: 300.357
• Hs Code.: 2928000031
• European Community (EC) Number: 442-820-5,604-709-1
• UNII: 24Z9QW0505
• DSSTox Substance ID: DTXSID5032525
• Nikkaji Number: J1.366.825F
• Wikidata: Q13439316
• Metabolomics Workbench ID: 55954
• ChEMBL ID: CHEMBL1872845
• Mol file: 149877-41-8.mol

Synonyms:bifenazate

Chemical Property of Bifenazate

Chemical Property:

• Melting Point: 122℃
• Boiling Point: °Cat760mmHg
• PKA: 9.84±0.43(Predicted)
• Flash Point: °C
• PSA: 59.59000
• Density: 1.153g/cm³
• LogP: 4.28760
• Storage Temp.: 0-6°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 300.14739250
• Heavy Atom Count: 22
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

Bifenazate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC
• Uses: BifenazateBifenazate is an selective miticide for the control of a variety of mite pests on crops. Acaricide.

Technology Process of Bifenazate

There total 13 articles about Bifenazate 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: 87.0%

isopropyl 3-(5-bromo-2-methoxyphenyl)carbazate (956748-17-7) + 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) → bifenazate (149877-41-8)

Guidance literature:

With sodium carbonate; palladium on activated charcoal; In ethanol; water; at 80 ℃; for 12h;

DOI:10.1016/j.tet.2007.08.017

Reference yield: 46.0%

C21H26N2O5 → bifenazate (149877-41-8)

Guidance literature:

With aluminium trichloride; In nitromethane; 2,2,2-trifluoroethanol; at 40 ℃; for 12h;

DOI:10.1080/00397910600636683

Reference yield:

methanone, diphenyl-(4-methoxy-{1,1'-biphenyl}-3-yl)hydrazone (670246-90-9) + isopropyl chloroformate (108-23-6) → bifenazate (149877-41-8)

Guidance literature:

methanone, diphenyl-(4-methoxy-{1,1'-biphenyl}-3-yl)hydrazone; With hydrogenchloride; In water; ethyl acetate; at 20 ℃; for 17.5h; Heating / reflux;

With sodium hydroxide; In water; ethyl acetate; for 0.166667h;

isopropyl chloroformate; With pyridine; In toluene; at 0 ℃; for 0.5h;

upstream raw materials:

isopropyl chloroformate

2-methoxy-5-phenylphenylhydrazine

isopropyl 3-(5-bromo-2-methoxyphenyl)carbazate

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

Refernces

• 1、 Dekeyser, Mark A.,McDonald, Paul T.,Angle Jr., Gilbert W.. "The discovery of bifenazate, a novel carbazate acaricide". . p. 702 - 704. Retrieved 2003.
• 2、 -. "Synthetic method for bifenazate". Paragraph 0027-0032. . Retrieved 2019/08/12.
• 3、 Kitamura, Yoshiaki,Sakurai, Ai,Udzu, Takahiro,Maegawa, Tomohiro,Monguchi, Yasunari,Sajiki, Hironao. "Heterogeneous Pd/C-catalyzed ligand-free Suzuki-Miyaura coupling reaction using aryl boronic esters". . p. 10596 - 10602. Retrieved 2008/02/12.