Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

Basic Information

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CAS Number

39515-40-7

Molecular Formula

C24H25NO3

Molecular Weight

17.03 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

25°C

Boiling Point

504.24°C (rough estimate)

Flash Point

209.4 oC

Refractive Index

1.5614 (estimate)

SMILES

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N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C)C

InChI

InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3/t20-,21?,22+/m1/s1

InChIKey

FJDPATXIBIBRIM-QFMSAKRMSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

634

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

Cyphenothrin
Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate
(R,S)-α-cyano-3-phenoxybenzyl-2,2-dimethyl-3-(2-methyl-1-propenyl) cyclopropanecarboxylate
d-trans-Cyphenothrin Solution
(RS)-α-cyano-3-phenoxybenzyl (1RS)-cis-trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
(Ξ)-cyano(3-phenoxyphenyl)methyl (1Ξ,3Ξ)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
1RS,3SR)-2,2-dimethyl-3-(2-methyl
CISCYPHENOTHRIN
cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
D-CYPHENOTHRIN
D-TRANS-CYPHENOTHRIN
gokilaht
s2703forte
TRANSCYPHENOTHRIN
alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

MDL Number

MFCD01960864

FAQ

What are the physical and chemical properties of Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 39515-40-7)?

Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate is a crystalline compound with a molecular weight of approximately 392.34 g/mol. It has a low solubility in water but is more soluble in organic solvents. It exhibits moderate reactivity towards nucleophiles and can undergo various chemical transformations. This compound is stable under normal storage conditions but should be protected from strong acids and bases.

How is Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 39515-40-7) typically synthesized?

Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate can be synthesized via a multi-step reaction involving protection of the phenol group, formation of the cyclopropanecarboxylic acid, and subsequent formation of the ester. Commonly, this involves the use of protecting groups, esterification, and hydrogenation steps. The reaction typically yields about 75-85% of the target product with good selectivity.

What industries use Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 39515-40-7)?

This compound is used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds applications in the polymer industry, where it can be used in the synthesis of functional monomers. Additionally, it is utilized in the development of sensors and semiconductors due to its unique physicochemical properties.

What precautions should be taken when handling Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 39515-40-7)?

When handling Cyano(3-phenoxyphenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate, it is important to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to vapors. In case of spill, it should be cleaned up using appropriate spill response materials. It is recommended to consult the Safety Data Sheet (SDS) for detailed handling and safety information.