5-Methoxyindole-3-carboxaldehyde

The 5-Methoxyindole-3-carboxaldehyde, with the CAS registry number 10601-19-1, is also known as 3-Formyl-5-methoxyindole. It belongs to the product categories of Blocks; Carboxes; Indoles Oxindoles; Heterocycles; Indoles and Derivatives; Indole Derivative; Aldehydes; Pyrroles & Indoles; Indoline & Oxindole; Building Blocks; Indole; Indoles; Simple Indoles; Chiral Compound; Intermediates of Tegaserod; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 234-220-5. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.18396. Its IUPAC name is called 5-methoxy-1H-indole-3-carbaldehyde. This chemical is yellowish to beige crystalline powder or needles. The product should be sealed and stored in cool and dry place.

Physical properties of 5-Methoxyindole-3-carboxaldehyde: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.67; (5)ACD/BCF (pH 7.4): 9.67; (6)ACD/KOC (pH 5.5): 176.65; (7)ACD/KOC (pH 7.4): 176.65; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.679; (12)Molar Refractivity: 51.95 cm³; (13)Molar Volume: 137.5 cm³; (14)Surface Tension: 53.7 dyne/cm; (15)Density: 1.273 g/cm³; (16)Flash Point: 180.7 °C; (17)Enthalpy of Vaporization: 62.27 kJ/mol; (18)Boiling Point: 375.2 °C at 760 mmHg; (19)Vapour Pressure: 7.89E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methoxy-indole and N,N-dimethyl-formamide. This reaction will need reagent phosphoryl chloride.

Uses of 5-Methoxyindole-3-carboxaldehyde: it can be used to produce 5-methoxy-3-(1-pyrrolidinylmethylene)-3H-indole by heating. This reaction will need solvent benzene with reaction time of 2 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. You must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)NC=C2C=O
(2)InChI: InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
(3)InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N