DALAPON-METHYL ESTER

The CAS registry number of Propanoic acid,2,2-dichloro-, methyl ester is 17640-02-7. This chemical is also named as Methyl 2,2-dichloropropionate. In addition, its molecular formula is C₄H₆Cl₂O₂ and molecular weight is 157. Its systematic name is called methyl 2,2-dichloropropanoate.

Physical properties about Propanoic acid,2,2-dichloro-, methyl ester are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.15; (6)ACD/BCF (pH 7.4): 6.15; (7)ACD/KOC (pH 5.5): 127.68; (8)ACD/KOC (pH 7.4): 127.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.442; (13)Molar Refractivity: 32.01 cm³; (14)Molar Volume: 120.8 cm³; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 1.299 g/cm³; (17)Flash Point: 50.5 °C; (18)Enthalpy of Vaporization: 38.06 kJ/mol; (19)Boiling Point: 143.5 °C at 760 mmHg; (20)Vapour Pressure: 5.32 mmHg at 25°C.

Preparation: this chemical can be prepared by iodomethane and trichloroacetic acid methyl ester. This reaction will need reagent sodium trichloroacetate and catalyst NBu₄Br. The reaction time is 80 hours with reaction temperature of 40 °C. The yield is about 59 %.

Uses of Propanoic acid,2,2-dichloro-, methyl ester: it can be used to produce 2,4-dichloro-2-methyl-4-phenyl-butyric acid methyl ester at temperature of 100 °C. It will need reagent ferrocene and solvent dimethylformamide with reaction time of 24 hours. The yield is about 60 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is flammable. It is harmful if swallowed. It is irritating to respiratory system and skin. Also it is a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(C(=O)OC)C
(2)InChI: InChI=1/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2H3
(3)InChIKey: RDYUJBOUMXIDPY-UHFFFAOYAY