1-METHYL-3-INDOLEACETIC ACID

The 1H-Indole-3-aceticacid, 1-methyl-, with the CAS registry number 1912-48-7, is also known as N-Methylindoleacetic acid. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical's molecular formula is C₁₁H₁₁NO₂ and molecular weight is 189.21. What's more, its IUPAC name  is 2-(1-Methylindol-3-yl)acetic acid. It should be put in a cool place.

Physical properties about 1H-Indole-3-aceticacid, 1-methyl-: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.54; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 53.61 cm³; (15)Molar Volume: 157.1 cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 190.9 °C; (19)Enthalpy of Vaporization: 67.68 kJ/mol; (20)Boiling Point: 392 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-07 mmHg at 25 °C; (22)Melting point: 126-128 °C.

Preparation of 1H-Indole-3-aceticacid, 1-methyl-: this chemical is prepared by reaction of Indol-3-yl-acetic acid with Iodomethane.



The reaction occurs with reagent NaH and solvent Tetrahydrofuran at temperature of 30 °C for 24 hours.

Uses of 1H-Indole-3-aceticacid, 1-methyl-: it is used to produce other chemicals. For example, it is used to produce (1-Methyl-indol-3-yl)-acetic acid methyl ester.



The reaction occurs with reagent Sulphuric acid at temperature of 25 °C for 24 hours. The yield is 94 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc2c1ccccc1n(c2)C
(2) InChI: InChI=1/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)
(3) InChIKey: NAIPEFIYIQFVFC-UHFFFAOYAH