5-Methoxyindole-2-carboxylic acid

The IUPAC name of 5-Methoxyindole-2-carboxylic acid is 5-methoxy-1H-indole-2-carboxylic acid. With the CAS registry number 4382-54-1, it is also named as Indole-2-carboxylic acid, 5-methoxy-. The product's categories are Indole / Indoline / Oxindole; Indole and Indoline; Indoles and Derivatives; Indole; Indoles; Simple Indoles; Boronic Acid; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks. Besides, it is light yellow to brownish powder, which should be stored in sealed, dark, ventilated and dry place at 2-10 °C. When you are using this chemical, please do not breathe dust. In addition, you should avoid contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)EINECS: 224-487-6; (2)ACD/LogP: 2.22; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.96; (5)ACD/LogD (pH 7.4): -0.62; (6)ACD/BCF (pH 5.5): 1.56; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 20.86; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 52.13 cm³; (15)Molar Volume: 138.4 cm³; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.381 g/cm³; (18)Flash Point: 224.5 °C; (19)Melting Point: 199-201 °C; (20)Enthalpy of Vaporization: 74.4 kJ/mol; (21)Boiling Point: 447.6 °C at 760 mmHg; (22)Vapour Pressure: 8.54E-09 mmHg at 25 °C.

Uses of 5-Methoxyindole-2-carboxylic acid: it can be used to produce 5-Methoxy-indole.



This reaction needs Quinoline for 12 min by using microwave. The yield is 100 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)c2cc1cc(OC)ccc1n2
(2)InChI: InChI=1/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: YEBJVSLNUMZXRJ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
(5)Std. InChIKey: YEBJVSLNUMZXRJ-UHFFFAOYSA-N

The toxicity data is as follows: