Introduction：Basic information about 5-Bromoindole CAS 10075-50-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
5-Bromoindole Basic information
| Product Name: | 5-Bromoindole |
| Synonyms: | 5-BROMOINDOLE;5-BI;5-BROMO-1H-INDOLE;5-Bromindole;5-bromonindole;5-Bromide indole;Bromoindole-99%;5-Bromoindole99% |
| CAS: | 10075-50-0 |
| MF: | C8H6BrN |
| MW: | 196.04 |
| EINECS: | 233-208-7 |
| Product Categories: | Halogenated Heterocycles;Heterocyclic Building Blocks;Organohalides;Simple Indoles;Pyrroles & Indoles;IndolesBuilding Blocks;Indole/indoline/oxindole;Indoles and derivatives;IndoleDerivative;Halides;Indoles;Pharmaceutical Intermediates;Indole Derivatives;Heterocycle-Indole series;blocks;Bromides;IndolesOxindoles;Pyrroles & Indoles;Indole;bc0001 |
| Mol File: | 10075-50-0.mol |
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5-Bromoindole Chemical Properties
| Melting point | 90-92 °C (lit.) |
| Boiling point | 228.5°C (rough estimate) |
| density | 1.5466 (rough estimate) |
| refractive index | 1.6550 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| solubility | 126mg/l (calculated) |
| pka | 16.04±0.30(Predicted) |
| form | Powder or Chunks |
| color | White to light brown |
| BRN | 112877 |
| InChI | InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H |
| InChIKey | VXWVFZFZYXOBTA-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(Br)C=C2)C=C1 |
| CAS DataBase Reference | 10075-50-0(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-Indole, 5-bromo- (10075-50-0) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-24/25-37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29339990 |
| Storage Class | 11 - Combustible Solids |
5-Bromoindole Usage And Synthesis
| Chemical Properties | white to light brown powder or chunks |
| Uses | A potential inhibitor of GSK-3 |
| Application | The 5-bromoindole is an important medicine intermediate that produces important source material for preventing and treating medicines such as cardiovascular disorders, sacred diseases, tumours and strengthening immunity. one of its important uses is the synthesis of indole derivative as tryptamines compounds, etc. These indole derivativeses are closely related with human vital movement, wherein melatonin and verivate thereof are regulated circadian rhythm, sleep, aspect such as antitumor very effectively. |
| Purification Methods | Purify it by steam distillation from a faintly alkaline solution. Cool the aqueous distillate, collect the solid, dry it in a vacuum desiccator over P2O5 and recrystallise it from aqueous EtOH (35% EtOH) or pet ether/Et2O. UV in MeOH has at 279, 287 and 296nm (log 3.70, 3.69 and 3.53). The picrate has m 137-138o(dec) (from max Et2O/pet ether). [UV: Thesing et al. Chem Ber 95 2205 1962, UV and NMR: Lallemand & Bernath Bull Soc Chim Fr 4091 1970, Beilstein 20/7 V 36.] |
5-Bromoindole Preparation Products And Raw materials
| Preparation Products | 1-METHYL-1H-INDOLE-5-BORONIC ACID 2,2-DIMETHYL PROPANE DIOL-1,3-CYCLIC ESTER-->C-(1H-INDOL-5-YL)-METHYLAMINE-->5-Indolylboronic acid-->5-Cyanoindole-->5-Acetylindole-->Indole-5-carboxaldehyde-->5-Bromoisatoic anhydride-->(R)-5-BROMO-3-[(1-METHYL-2-PYRROLIDINYL)METHYL]-1H-INDOLE-->INDOLE-5-METHANOL-->5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid-->1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-->3-ACETOXY-5-BROMOINDOLE-->5-Bromo-3-cyanoindole |
