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Fenpyroximate , CAS No.111812-58-9
Basic Description
Synonyms
4-hydroxy-4-(4-bromophenyl)piperidine | DL-Fenpyroximate | NCGC00163915-04 | (E)-Fenpyroximate | Fenpryroximate | NCGC00163915-02 | tert-butyl 4-[({[(1E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate | tert-Butyl 4-[[[(E)-[(1
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Benzenoid - Monocyclic benzene moiety - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Acaricides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
INCHI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
InChIKey
YYJNOYZRYGDPNH-MFKUBSTISA-N
Smiles
CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
Isomeric SMILES
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
WGK Germany
2
UN Number
2588
Packing Group
II
Molecular Weight
421.49
Beilstein
8352707
Reaxy-Rn
11595328
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11595328&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in methanol (15 g/L) at 25° C, acetone (150 g/L) at 25° C, dichloromethane (1307 g/L) at 25° C, chloroform (1197 g/L) at 25° C, and tetrahydrofuran (737 g/L) at 25° C. Insoluble in water.
Refractive Index
n20D1.56 (Predicted)
Boil Point(°C)
546.22° C at 760 mmHg (Predicted)
Melt Point(°C)
101.2-102.4° C
Molecular Weight
421.500 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
9
Exact Mass
421.2 Da
Monoisotopic Mass
421.2 Da
Topological Polar Surface Area
74.900 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
592.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Yumei Yan, Zhili Liu, Wenfeng Zhou, Haixiang Gao, Runhua Lu.
(2023)
Construction of multiple modes using gold nanoparticles as probes for the rapid detection of fenpyroximate. Analytical Methods,
15
(13):
(1713-1721).
2.
Jiaxuan Fan, Jing Li, Wenfeng Zhou, Haixiang Gao, Runhua Lu.
(2023)
A low-cost, efficient and selective detection method of acaricide residues: Adsorption study. MICROCHEMICAL JOURNAL,
186
(108325).
3.
Gu Yu-Xin, Yan Tian-Ci, Yue Zi-Xuan, Li Min-Hui, Zheng Hui, Wang Shu-Ling, Cao Jun.
(2022)
Dispersive Micro-solid-Phase Extraction of Acaricides from Fruit Juice and Functional Food Using Cucurbituril as Sorbent. Food Analytical Methods,
15
(5):
(1356-1367).
4.
Kipchoge Leviticus, Li Cui, Han Ling, Zhong-Qiang Jia, Qiu-Tang Huang, Zhao-Jun Han, Chun-Qing Zhao, Lu Xu.
(2019)
Lethal and sublethal effects of fluralaner on the two-spotted spider mites, Tetranychus urticae Koch (Acari: Tetranychidae). PEST MANAGEMENT SCIENCE,
76
(3):
(888-893).
5.
Bing Peng, Xiaoling Yang, Jiaheng Zhang, Fengpei Du, Wenfeng Zhou, Haixiang Gao, Runhua Lu.
(2013)
Comparison of two ultrasound-enhanced microextractions combined with HPLC for determining acaricides in water. JOURNAL OF SEPARATION SCIENCE,
36
(13):
(2196-2202).
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5 Citations