| Identification | More | [Name]
5-BROMO-2-METHYLINDOLE | [CAS]
1075-34-9 | [Synonyms]
2-METHYL-5-BROMO INDOLE
5-BROMO-2-METHYL-1H-INDOLE
5-BROMO-2-METHYLINDOLE | [Molecular Formula]
C9H8BrN | [MDL Number]
MFCD01863677 | [Molecular Weight]
210.07 | [MOL File]
1075-34-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
104-107 °C (lit.) | [Boiling point ]
147-148 °C(Press: 4 Torr) | [density ]
1.4916 g/cm3 | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Powder | [pka]
16.61±0.30(Predicted) | [color ]
Yellow to pink to tan | [InChI]
1S/C9H8BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3 | [InChIKey]
BJUZAZKEDCDGRW-UHFFFAOYSA-N | [SMILES]
Cc1cc2cc(Br)ccc2[nH]1 | [CAS DataBase Reference]
1075-34-9(CAS DataBase Reference) | [Storage Precautions]
Store under inert gas |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
2933998090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
5-Bromo-2-methylindole, a bromoalkylindole derivative, has been reported to be prepared by the bromination of 2-methylindole and characterized by 1H NMR. | [General Description]
5-Bromo-2-methylindole, a bromoalkylindole derivative, has been reported to be prepared by the bromination of 2-methylindole and characterized by 1H NMR. | [Synthesis]
Step 1. Synthesis of 5-bromo-2-methyl-7H-indole: To a solution of 2-methyl-1H-indole (5.0 g, 38.12 mmol) in sulfuric acid (80 mL) was added Ag2SO4 (12.5 g, 40.06 mmol) under cooling in an ice bath and stirred for 30 min. Subsequently, Br2 (6.4 g, 40.05 mmol) was slowly added dropwise over 30 minutes. After the dropwise addition, the reaction mixture was continued to be stirred at room temperature for 4 hours. Upon completion of the reaction, the reaction was quenched by the addition of a water/ice mixture (300 mL). The reaction mixture was extracted with dichloromethane (3 x 200 mL), the organic layers were combined, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford 5-bromo-2-methyl-7H-indole as a light brown solid (6 g). The product was detected by LC-MS: [M+H]+ m/z 211.0. 1H-NMR (300MHz, CDCl3) δ: 11.23 (s, 1H), 7.56 (s, 1H), 7.21 (d, J=8.7Hz, 1H), 7.07-7.09 (m, 1H), 6.11 (s, 1H), 2.38 (s, 3H). | [References]
[1] Patent: WO2012/119046, 2012, A2. Location in patent: Page/Page column 161
[2] Patent: US2012/225863, 2012, A1. Location in patent: Page/Page column 28 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|