ChemicalBook--->CAS DataBase List--->117428-22-5

117428-22-5

117428-22-5 Structure

117428-22-5 Structure
IdentificationBack Directory
[Name]

Picoxystrobin
[CAS]

117428-22-5
[Synonyms]

ZA1963
ACANTO
PICOXYSTROBIN
Picoxystrobin [iso]
-Methyl 3-methoxy-2-(2-(((6-(trifluoromethyl)
Methyl (E)-3-methoxy-2-{2-[6-(trifluoromethyl)-2-pyridyloxymethyl]phenyl}acrylate
methyl (e)-α-methoxymethylene-2-(3-trifluoromethyl-2-pyridyloxymethyl)phenylacetate
METHYL (E)-ALPHA-METHOXYMETHYLENE-2-(3-TRIFLUOROMETHYL-2-PYRIDYLOXYMETHYL)PHENYLACETATE
Benzeneacetic acid, a-(MethoxyMethylene)-2-[[[6-(trifluoroMethyl)-2-pyridinyl]oxy]Methyl]-,Methyl ester, (aE)-
Benzeneacetic acid, .alpha.-(methoxymethylene)-2-6-(trifluoromethyl)-2-pyridinyloxymethyl-, methyl ester, (.alpha.E)-
[EINECS(EC#)]

601-478-9
[Molecular Formula]

C18H16F3NO4
[MDL Number]

MFCD04112618
[MOL File]

117428-22-5.mol
[Molecular Weight]

367.32
Chemical PropertiesBack Directory
[Melting point ]

75°
[Boiling point ]

453.1±45.0 °C(Predicted)
[density ]

d20 1.4
[vapor pressure ]

34hPa at 20℃
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 100 mg/mL (272.24 mM; Need ultrasonic)
[form ]

neat
[pka]

-1.09±0.24(Predicted)
[color ]

Light yellow to brown
[Water Solubility ]

3.25mg/L at 20℃
[Henry's Law Constant]

1.4×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Stability:]

Hygroscopic
[Major Application]

agriculture
environmental
[InChI]

InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
[InChIKey]

IBSNKSODLGJUMQ-SDNWHVSQSA-N
[SMILES]

C(=C/OC)(\C(OC)=O)/C1C=CC=CC=1COC1=CC=CC(=N1)C(F)(F)F
[LogP]

3.68 at 20℃
[EPA Substance Registry System]

Benzeneacetic acid, .alpha.-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (.alpha.E)- (117428-22-5)
Hazard InformationBack Directory
[Uses]

Picoxystrobin is an methoxyacrylate strobilurin fungicide designed for the control of wide range of cereal diseases.
[Definition]

ChEBI: An enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid. A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mi dew and net blotch.
[Production Methods]

The industrial synthesis of picoxystrobin begins with the preparation of the key intermediate methyl 2-(6-trifluoromethylpyridin-2-yloxymethyl)phenylacetate. This compound is reacted with acetic anhydride and trimethyl orthoformate in a condensation reaction that forms the active strobilurin structure. The process is designed to be efficient and scalable, with acetic anhydride also serving to neutralize byproducts and improve yield. Reaction conditions are carefully controlled, typically under mild heating and in the presence of a catalyst, to ensure high purity and minimise side reactions.
[Flammability and Explosibility]

Notclassified
[Mechanism of action]

Preventative and curative action. Respiration inhibitor (QoL fungicide).
[Pesticide Type]

Fungicide
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H332-H410
[Precautionary statements ]

P273-P304+P340+P312
[Hazard Codes ]

N
[Risk Statements ]

50/53
[Safety Statements ]

60-61
[RIDADR ]

UN 3077
[WGK Germany ]

2
[REACH Registrations]

Active
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Aquatic Acute 1
Aquatic Chronic 1
[Toxicity]

MLD in rats (mg/kg): >5000 orally; >2000 dermally; MLC in rats (mg/l): 2.12 by inhalation (Godwin)
Questions And AnswerBack Directory
[Description]

Picoxystrobin, as a kind of Strobilurin analogues, is a kind of fungicide. It can be used for control of many kinds of fungal diseases such as yellow, brown, crown rusts, powdery mildew, and sooty mold, net and leaf blotch as well as tan spot occurring on cereal crops such as wheat, barley and oats and rye. It takes effect through inhibiting the electron transfer in mitochondria, further inhibiting the fungal respiration, disrupting metabolism and stopping the growth of the related fungi. It has both preventative and curative properties. It can be used either as a single fungicide or in combination with other fungicides such as Cyproconazole and cyprodinil.
[References]

https://www.scbt.com/scbt/product/potassium-periodate-7790-21-8
https://en.wikipedia.org/wiki/Potassium_periodate
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