Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

Basic Information

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CAS Number

105392-26-5

Molecular Formula

C14H12Cl2FNO3

Molecular Weight

332.16 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

150-154 °C

Boiling Point

468.4°Cat760mmHg

Flash Point

237.1°C

Refractive Index

1.579

SMILES

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COC(=O)C(=C(C1=CC(=C(C=C1Cl)Cl)F)O)C=NC2CC2

InChI

InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,18H,2-3H2,1H3/b9-6+

InChIKey

YCDBNUJZSAFBIY-RMKNXTFCSA-N

LogP

3.124100000000001

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

465

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
2-(2,4-DICHLORO-5-FLUORO-BENZOYL)-3-CYCLOPYLAMINO-ACRYLIC-METHYL ESTER
D95927
YCDBNUJZSAFBIY-UHFFFAOYSA-N
CID 135741235
methyl 2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
105392-26-5
(Z)-methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
2-(2,4-Dichloro-5-Fluoro-Benzoyl)-3-Cyclopylamino-Acrylic-Methylester
methyl (E)-2-(cyclopropyliminomethyl)-3-(2,4-dichloro-5-fluorophenyl)-3-hydroxyprop-2-enoate
methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
(E)-methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
FT-0653513
Benzenepropanoic acid, 2,4-dichloro-?-[(cyclopropylamino)methylene]-5-fluoro-?-oxo-, methyl ester; Methyl 3-Cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate
2-(2,4-DICHLORO-5-FLUORO BENZOYL)-3-CYCLOPROPYLAMINO-ACRYLIC-METHYL ESTER
2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester, mixture of isomers
Benzenepropanoic acid,2,4-dichloro-a-[(cyclopropylamino)methylene]-5-fluoro-b-oxo-, methyl est...
Benzenepropanoic acid,2,4-dichloro-a-[(cyclopropylamino)methylene]-5-fluoro-b-oxo-, methyl ester
Cyclopropyl carboxylic acid amide
Methyl cyclopropyl carboxylic amine

MDL Number

MFCD02683487

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate (CAS: 105392-26-5)?

Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate is a crystalline solid with a molecular weight of approximately 358.04 g/mol. It has a low solubility in water but is soluble in common organic solvents like acetonitrile and dimethylformamide. The compound is relatively stable but can undergo hydrolysis under basic conditions. It is not highly reactive but should be handled with care due to its chlorinated and fluorinated substituents.

How is Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate (CAS: 105392-26-5) typically synthesized?

Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate is synthesized via a multi-step process involving the formation of a key intermediate. The synthesis typically involves the coupling of a cyclopropylamine with a 2,4-dichloro-5-fluorobenzoyl chloride, followed by acylation of the resulting intermediate with methyl acrylate. The reaction conditions include the use of a suitable catalyst and the appropriate temperature to achieve high selectivity and yield.

What industries use Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate (CAS: 105392-26-5)?

Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate is primarily used in the pharmaceutical industry for the synthesis of pharmaceutical intermediates. It is also utilized in the polymer industry as a monomer for the production of specialty polymers. Additionally, it has applications in the development of sensors and semiconductors due to its functional groups and chemical stability.

What precautions should be taken when handling Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate (CAS: 105392-26-5)?

When handling Methyl (2E)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated environment or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.