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| CAS No.: | 4837-90-5 |
|---|---|
| Name: | 4-Methoxyindole |
| Molecular Structure: | |
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| Formula: | C9H9NO |
| Molecular Weight: | 147.177 |
| Synonyms: | 4-methoxy-1H-indole;1H-Indole, 4-methoxy-;4-Methoxy Indole;4-Methoxy-indole; |
| EINECS: | -0 |
| Density: | 1.169 g/cm3 |
| Melting Point: | 69-70 °C(lit.) |
| Boiling Point: | 306.9 °C at 760 mmHg |
| Flash Point: | 109.2 °C |
| Appearance: | light brown to grey crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 25.02000 |
| LogP: | 2.17650 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 103260-65-7
4-methoxy-1H-indole-2-carboxylic acid
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| In quinoline for 0.2h; microwave; | 97% |
| With quinoline; copper for 2h; Heating; | 94% |
| copper In quinoline for 2h; Heating / reflux; | 94% |
| With quinoline; copper oxide-chromium oxide at 200 - 210℃; |
- 20876-27-1
(6-methoxy-2-nitrophenyl)acetonitrile
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid; 10% palladium on active carbon In ethanol under 2280 Torr; for 2h; Ambient temperature; | 96% |
| With palladium 10% on activated carbon; hydrogen; acetic acid at 20℃; for 12h; |
- 112970-67-9
4-methoxy-1-<(4-methylphenyl)sulfonyl>indole
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol for 12h; Heating; | 96% |
| With sodium hydride In N,N-dimethyl acetamide at 60℃; for 3h; Inert atmosphere; | 74% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol; butanone for 6h; Heating; | 95% |
| Stage #1: 1H-indol-4-ol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h; Stage #2: methyl iodide In tetrahydrofuran; mineral oil at 20℃; for 1h; | 92% |
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere; | 91% |
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With carbon monoxide; triphenylphosphine; palladium diacetate In acetonitrile under 3040 Torr; for 20h; Heating; | 89% |
- 34158-98-0
acetaldehyde 3-methoxyphenylhydrazone
A
- 3189-13-7
6-methoxylindole
B
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| GIPKh-115 In benzene at 260 - 280℃; (g) phase; | A n/a B 85% |
| GIPKh-115 In benzene at 180 - 320℃; (g) phase. Object of study: effect of electronic factors; | A n/a B 85% |
| GIPKh-115 at 260 - 280℃; Yield given. Yields of byproduct given; |
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol under 3102.9 Torr; for 6h; | 82% |
| Conditions | Yield |
|---|---|
| With C55H49N4OP2Ru In o-xylene at 140℃; under 750.075 Torr; for 48h; Inert atmosphere; Schlenk technique; Green chemistry; | 82% |
| With potassium tert-butylate In o-xylene at 140℃; for 36h; Inert atmosphere; | 55% |
- 96631-91-3
3-methoxy-trans-2-[β-(dimethylamino)vinyl]-nitrobenzene
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In tetrahydrofuran for 1h; | 70% |
| With hydrogen; palladium on activated charcoal In methanol; dichloromethane at 20℃; | 63% |
- 4837-90-5
4-methoxy-1H-indole
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol for 5h; Heating; | 70% |
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Specification
The 4-Methoxyindole, with the CAS registry number 4837-90-5, has the systematic name of 4-methoxy-1H-indole. And the molecular formula of this chemical is C9H9NO. It is a kind of light brown to grey crystalline powder which is sensitive to light, and it belongs to the folllowing product categories: Blocks; IndolesOxindoles; Indoles and derivatives; Pyrroles & Indoles; Indoline & Oxindole; Indole Series; Indoles; Simple Indoles; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blockss. What's more, it is used as medicine intermediate.
The physical properties of 4-Methoxyindole are as following: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 14.16 Å2; (7)Index of Refraction: 1.637; (8)Molar Refractivity: 45.2 cm3; (9)Molar Volume: 125.8 cm3; (10)Polarizability: 17.92×10-24cm3; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.169 g/cm3; (13)Flash Point: 109.2 °C; (14)Enthalpy of Vaporization: 52.56 kJ/mol; (15)Boiling Point: 306.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00136 mmHg at 25°C.
Uses of 4-Methoxyindole: It can react with triethoxymethane to produce 3-(4-Methoxyindolin-2-yl)-4-methoxyindole. This reaction will need reagent Cl3CCOOH, and the solvent CH2Cl2. The reaction time is 25 minutes with ambient temperature, and the yield is about 60%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc2c1ccn2)C
(2)InChI: InChI=1/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
(3)InChIKey: LUNOXNMCFPFPMO-UHFFFAOYAZ