METHYL 5-(CHLOROMETHYL)-2-FUROATE

The Methyl 5-(chloromethyl)-2-furoate is an organic compound with the formula C₇H₇ClO₃. The IUPAC name of this chemical is methyl 5-(chloromethyl)furan-2-carboxylate. With the CAS registry number 2144-37-8, it is also named as 2-Furancarboxylic acid, 5-(chloromethyl)-, methyl ester. The product's category is API Intermediates. Besides, it is a white to yellowish low melting crystalline solid, which should be stored at temperature of 4 °C.

Physical properties about  are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.26; (3)ACD/LogD (pH 7.4): 1.26; (4)ACD/BCF (pH 5.5): 5.32; (5)ACD/BCF (pH 7.4): 5.32; (6)ACD/KOC (pH 5.5): 115.07; (7)ACD/KOC (pH 7.4): 115.07; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.44 Å²; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 40.09 cm³; (13)Molar Volume: 137.8 cm³; (14)Polarizability: 15.89×10^-24cm³; (15)Surface Tension: 37.6 dyne/cm; (16)Density: 1.266 g/cm³; (17)Flash Point: 116 °C; (18)Enthalpy of Vaporization: 50.62 kJ/mol; (19)Boiling Point: 268.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00781 mmHg at 25°C.

Preparation: this chemical can be prepared by furan-2-carboxylic acid methyl ester and formaldehyde. This reaction will need reagent HCl and ZnCl₂ at temperature of 35 °C. The yield is about 66%.

Uses of Methyl 5-(chloromethyl)-2-furoate: it can be used to produce 5-dimethylaminomethyl-furan-2-carboxylic acid methyl ester. This reaction will need reagent methanol. The reaction time is 7 hours by heating. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1oc(cc1)CCl
(2)InChI: InChI=1/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
(3)InChIKey: PWXMEBZOKUPCST-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
(5)Std. InChIKey: PWXMEBZOKUPCST-UHFFFAOYSA-N