INDOLE-5-METHANOL

The Indole-5-methanol, with the CAS registry number 1075-25-8, is also known as 5-(Hydroxymethyl)-1H-indole. It belongs to the product categories of Blocks; Indoles Oxindoles and Indole. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17. What's more, its systematic name and IUPAC name are the same which is called 1H-indol-5-ylmethanol. This chemical is brown powder.

Physical properties about Indole-5-methanol are: (1) ACD/LogP: 0.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.96; (4) ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.15; (6) ACD/BCF (pH 7.4): 3.15; (7) ACD/KOC (pH 5.5): 79.17; (8) ACD/KOC (pH 7.4): 79.17; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 14.16 Å²; (13) Index of Refraction: 1.705; (14) Molar Refractivity: 44.97 cm³; (15) Molar Volume: 115.6 cm³; (16) Polarizability: 17.83×10^-24cm³; (17) Surface Tension: 61.7 dyne/cm; (18) Density: 1.272 g/cm³; (19) Flash Point: 171.9 °C; (20) Enthalpy of Vaporization: 63.98 kJ/mol; (21) Boiling Point: 360.6 °C at 760 mmHg; (22) Vapour Pressure: 7.89E-06 mmHg at 25 °C; (23) Melting point: 66-70 °C.

Preparation of Indole-5-methanol: this chemical is prepared by reaction of Indole-5-carboxylic acid methyl ester with LiAlH₄.



The reaction occurs with solvent Tetrahydrofuran and other condition of heating for 3 hours. The yield is 82%.

Uses of Indole-5-methanol: it is used to produce other chemicals. For example, it is used to produce Indole-5-carbaldehyde.

The reaction occurs with reagent MnO₂ and solvent CH₂Cl₂ at ambient temperature for 113 hours. The yield is 91.7%.

When you are dealing with this chemical, you should be very careful. This chemical is irritant and may cause inflammation to the skin or other mucous membranes. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc2c(cc1)ncc2
(2) InChI: InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
(3) InChIKey: ZSHFWQNPJMUBQU-UHFFFAOYAW