CAS No.105392-26-5,METHYL 3-(CYCLOPROPYLAMINO)-2-(2,4-DICHLORO-5-FLUOROBENZOYL)ACRYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105392-26-5
Name:	METHYL 3-(CYCLOPROPYLAMINO)-2-(2,4-DICHLORO-5-FLUOROBENZOYL)ACRYLATE

Formula:	C₁₄H₁₂Cl₂FNO₃
Molecular Weight:	332.159
Synonyms:	Cyclopropyl carboxylic acid amide;Methyl cyclopropyl carboxylic amine;
Density:	1.43g/cm3
Melting Point:	150-154 °C(lit.)
Boiling Point:	468.4ºC at 760mmHg
Flash Point:	237.1ºC
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.40000
LogP:	3.51500

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Specification

The systematic name of Benzenepropanoic acid,2,4-dichloro-a-[(cyclopropylamino)methylene]-5-fluoro-b-oxo-, methyl ester is methyl (Z)-3-(cyclopropylamino)-2-(2,4-dichloro-5-fluoro-benzoyl)prop-2-enoate. With the CAS registry number 105392-26-5, it is also named as 2-(2,4-Dichloro-5-fluoro-benzoyl)-3-cyclopylamino-acrylic-methylester. It is solid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 55.4 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 76.8 cm³; (9)Molar Volume: 230.9 cm³; (10)Polarizability: 30.44×10^-24cm³; (11)Surface Tension: 50.9 dyne/cm; (12)Density: 1.43 g/cm³; (13)Flash Point: 237.1 °C; (14)Enthalpy of Vaporization: 73.05 kJ/mol; (15)Boiling Point: 468.4 °C at 760 mmHg; (16)Vapour Pressure: 6.02E-09 mmHg at 25°C.

Preparation of Benzenepropanoic acid,2,4-dichloro-a-[(cyclopropylamino)methylene]-5-fluoro-b-oxo-, methyl ester: It can be obtained by 2,4-dichloro-5-fluoro-benzoyl chloride and 3-cyclopropylamino-acrylic acid methyl ester. This reaction needs reagent pyridine and solvent dioxane. The yield is 62%.

Uses of Benzenepropanoic acid,2,4-dichloro-a-[(cyclopropylamino)methylene]-5-fluoro-b-oxo-, methyl ester: It can be used to produce 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid methyl ester. This reaction needs reagent potassium carbonate and solvent dimethylformamide at temperature of 140-150 °C. The reaction time is 2 hours. The yield is 85%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)C(=C\NC1CC1)/C(=O)c2cc(F)c(Cl)cc2Cl
2. InChI:InChI=1/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-
3. InChIKey:YCDBNUJZSAFBIY-TWGQIWQCBG