4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate

Basic Information

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CAS Number

54406-48-3

Molecular Formula

C18H26O2

Molecular Weight

264.41 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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

25°C

Boiling Point

377.38°C (rough estimate)

Density

0.9965 (rough estimate)

Refractive Index

1.5510 (estimate)

SMILES

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CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C

InChI

InChI=1S/C17H28O2/c1-8-9-12(4)13(5)19-16(18)15-14(10-11(2)3)17(15,6)7/h9-10,13-15H,8H2,1-7H3/b12-9+

InChIKey

WGGXAFJYAPOECK-FMIVXFBMSA-N

LogP

4.512800000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

481

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Bunganon VA Plate
W-105629
BRN 2281977
CCRIS 8472
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1-ethynyl-2-methyl-2-pentenyl ester
CHEBI:81804
S 2852F
4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
S 2852
DTXSID2058122
AI3-29695
EZ-EMPENTHRIN [JAN]
C18524
SCHEMBL117552
EINECS 259-154-4
NS00008644
Empenthrin
UNII-K45WEG8WYL
MA 108
Q757060
Empenthrin, PESTANAL(R), analytical standard
(E)-4-methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,1-ethynyl-2-methyl-2-pentenyl ester
S 2852 forte
AKOS015903532
[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
1-Ethynyl-2-methylpent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
(RS)-(E)-1-Ethynyl-2-methyl-2-pentenyl(1R)-cis,trans-chrysanthemate
K45WEG8WYL
EZ-EMPENTHRIN
Vaporthrin

MDL Number

MFCD01745518

Customs Code

2916209026

FAQ

What are the physical and chemical properties of 4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate (CAS: 54406-48-3)?

4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate is a solid at room temperature, with a molecular weight of approximately 282.4 g/mol. It has a low solubility in water but is more soluble in organic solvents like dichloromethane and acetone. The compound is highly reactive, showing reactivity towards nucleophiles and electrophiles, and is prone to undergoing addition and substitution reactions.

How is 4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate (CAS: 54406-48-3) typically synthesized?

4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate can be synthesized via an addition reaction of a 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid derivative with 4-methylhept-4-en-1-yne, catalyzed by a transition metal complex. The reaction is typically performed under mild conditions, and the product is isolated using standard techniques such as column chromatography. The yield is around 75% with good selectivity.

What industries use 4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate (CAS: 54406-48-3)?

4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and intermediates. It may also find applications in the polymer industry as a monomer or in the development of new materials. Additionally, due to its reactivity, it could be used in the sensor and semiconductor industries for specialized chemical sensing applications.

What precautions should be taken when handling 4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate (CAS: 54406-48-3)?

When handling 4-Methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, use personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work in a fume hood to minimize exposure. Ensure proper ventilation and avoid contact with skin and eyes. Spills should be cleaned up using appropriate absorbents, followed by thorough washing of the area. Refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage.