ETHYL 2-METHYL-3-INDOLEACETATE

The 1H-Indole-3-aceticacid, 2-methyl-, ethyl ester, with CAS registry number 21909-49-9, belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Indoles. It has the systematic name of ethyl (2-methyl-1H-indol-3-yl)acetate. And the chemical formula of this chemical is C₁₃H₁₅NO₂.

Physical properties of 1H-Indole-3-aceticacid, 2-methyl-, ethyl ester: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 31.23 Å²; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 63.94 cm³; (9)Molar Volume: 187.4 cm³; (10)Polarizability: 25.34×10^-24cm³; (11)Surface Tension: 46.3 dyne/cm; (12)Density: 1.158 g/cm³; (13)Flash Point: 175.2 °C; (14)Enthalpy of Vaporization: 61.25 kJ/mol; (15)Boiling Point: 366.1 °C at 760 mmHg; (16)Vapour Pressure: 1.5E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl chloride and 4-phenylhydrazono-valeric acid ethyl ester. The reaction will need solvent methanol. The reaction time is 6 hour(s). The yield is about 60%.

Uses of 1H-Indole-3-aceticacid, 2-methyl-, ethyl ester: it can be used to produce (2-methyl-indol-3-yl)-acetic acid hydrazide. This reaction will need reagent hydrazine hydrate.

When you are using this chemical, please be cautious about it as the following:
The 1H-Indole-3-aceticacid, 2-methyl-, ethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc2c1ccccc1nc2C
(2)InChI: InChI=1/C13H15NO2/c1-3-16-13(15)8-11-9(2)14-12-7-5-4-6-10(11)12/h4-7,14H,3,8H2,1-2H3
(3)InChIKey: SLEXJGHKKHQSDC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H15NO2/c1-3-16-13(15)8-11-9(2)14-12-7-5-4-6-10(11)12/h4-7,14H,3,8H2,1-2H3
(5)Std. InChIKey: SLEXJGHKKHQSDC-UHFFFAOYSA-N