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| CAS No.: | 3189-22-8 |
|---|---|
| Name: | 7-Methoxy-1H-indole |
| Molecular Structure: | |
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| Formula: | C9H9NO |
| Molecular Weight: | 147.177 |
| Synonyms: | Indole,7-methoxy- (6CI,7CI,8CI);7-Methoxy-1H-indole;NSC 100739; |
| EINECS: | 221-690-1 |
| Density: | 1.169 g/cm3 |
| Melting Point: | 147-150 °C |
| Boiling Point: | 297.785 °C at 760 mmHg |
| Flash Point: | 109.23 °C |
| Appearance: | Pale brown to brown liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 25.02000 |
| LogP: | 2.17650 |
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Specification
The 7-Methoxyindole, with the CAS registry number 3189-22-8, is also known as Indole, 7-methoxy-. It belongs to the product categories of Blocks; Indoles Oxindoles; Indoles and Derivatives; Pyrroles & Indoles; Indoline & Oxindole; Indoles; Simple Indoles; Indole; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS registry number is 221-690-1. This chemical's molecular formula is C9H9NO and molecular weight is 147.17. What's more, both its IUPAC name and systematic name are the same which is called 7-Methoxy-1H-indole. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 7-Methoxyindole are: (1)ACD/LogP: 2.582; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.98; (6)ACD/BCF (pH 7.4): 53.98; (7)ACD/KOC (pH 5.5): 604.70; (8)ACD/KOC (pH 7.4): 604.70; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.02 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 45.207 cm3; (15)Molar Volume: 125.874 cm3; (16)Polarizability: 17.921×10-24 cm3; (17)Surface Tension: 45.76 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 109.23 °C; (20)Enthalpy of Vaporization: 51.615 kJ/mol; (21)Boiling Point: 297.785 °C at 760 mmHg; (22)Vapour Pressure: 0.0020 mmHg at 25 °C.
Preparation of 7-Methoxyindole: this chemical can be prepared by methanol; sodium salt with 7-iodoindole. This reaction needs reagent cuprous iodide and solvents dimethylformamide, methanol at temperature of 120 °C. The reaction time is 1 hour. The yield is 76 %.
Uses of 7-Methoxyindole: (1) it is used as pharmaceutical Intermediates; (2) it is used to produce other chemicals. For example, it can react with 1-methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-1,2,3,6-tetrahydro-pyridine to get 2-[2-(methylamino)ethyl]-8-methoxy-1-methyl-9H-carbazole. The reaction occurs with reagent AcOH. The reaction time is 56 hour. The yield is 82 %.
![7-Methoxyindole can react with 1-methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-1,2,3,6-tetrahydro-pyridine to get 2-[2-(methylamino)ethyl]-8-methoxy-1-methyl-9H-carbazole.](/UserFilesUpload/Uses of 7-Methoxyindole.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc2c1ncc2)C
(2) InChI: InChI=1S/C9H9NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10H,1H3
(3) InChIKey: FSOPPXYMWZOKRM-UHFFFAOYSA-N