2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate

Basic Information

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CAS Number

134098-61-6

Molecular Formula

C24H27N3O4

Molecular Weight

421.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

100.0 to 104.0 deg-C

Boiling Point

546.2°Cat760mmHg

Density

1.1300

Flash Point

284.1°C

Refractive Index

1.549

SMILES

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Cc1c(c(n(n1)C)Oc2ccccc2)/C=N/OCc3ccc(cc3)C(=O)OC(C)(C)C

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

LogP

5.026820000000004

Topological Polar Surface Area

74.94000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

592

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H370 Causes damage to organs
Specific target organ toxicity, single exposure

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in male, female rats (mg/kg): 480, 245 orally; >2000, >2000 dermally; LC50 (48hr) in carp: 6.1 mg/l; LC50 (3hr) in daphnia pulex: 85 mg/l (Konno)

Synonyms & References

English

Fenpyroximate
KIRON
DANITORON
DANITRON
PAMANRIN
ORTUS
FENPYROXIMATE PESTANAL, 100 MG
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
fenpyroximate (bsi, draft e-iso)
n-Octyl acrylate
1,1-dimethylethyl (e)-4-(((((1,3-dimethyl-5-phenoxy-1h-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate
tert-butyl (e)-4-(((((1,3-dimethyl-5-phenoxy-1h-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate
BOC-D-DAB(FMOC)-OH
Fenpyroximate Solution
1,1-dimethylethyl 4-[[[(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoate
fenproximate
nni850
tert-butyl (E)-α-(1,3-dimethyl-5-phenoxypyrazol-4-ylmethyleneaminooxy)-p-toluate
tert-butyl 4-[({[(E)-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene]amino}oxy)methyl]benzoate
Trophloabul
uate
(tert-Butyl (E)-α-(1,3)-dimethyl-5-phenoxy-1H-pyrazol-4-yl methylene amino-oxy)-p-toluate)
tert-Butyl 4-[[[(E)-[(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoate
4-[[[(E)-[(1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]benzoic Acid tert-Butyl Ester
tert-Butyl (E)-4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoat
1,1-Dimethylethyl (E)-4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate
tert-Butyl (E)-4-(((((1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene)amino)oxy)methyl)benzoate

MDL Number

MFCD00274596

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate (CAS: 134098-61-6)?

2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate is a crystalline solid with a molecular weight of approximately 516.42 g/mol. It has a high solubility in organic solvents like dichloromethane and a low solubility in water. This compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate (CAS: 134098-61-6) typically synthesized?

This compound can be synthesized through a multi-step process involving the condensation of a methyl acrylate derivative with a 1,3-dimethyl-5-phenoxy-1H-pyrazole-4-carbaldehyde, followed by an intramolecular cyclization reaction. Common catalysts include palladium(II) acetate and triphenylphosphine. The reaction is typically carried out under mild conditions to achieve high selectivity and yield.

What industries use 2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate (CAS: 134098-61-6)?

This compound has applications in the pharmaceutical industry, where it can be used as a precursor in the synthesis of bioactive molecules. It may also find use in the polymer industry for modifying polymer properties. Additionally, due to its chemical structure, it could potentially be used in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-[({(E)-[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino}oxy)methyl]benzoate (CAS: 134098-61-6)?

When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to avoid inhalation of volatile byproducts. Spills should be carefully cleaned up using absorbent materials, and the area should be well-ventilated to disperse any vapors. Always refer to the safety data sheet (SDS) for specific handling and disposal instructions.