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| | 6-Bromo-benzo[b]thiophene Basic information |
| Product Name: | 6-Bromo-benzo[b]thiophene | | Synonyms: | 6-bromobenzothiophene;6-Bromo-1-benzothiophene;Brexpiprazole Impurity 20 ,6-bromobenzo[b]thiophene;Benzo[b]thiophene, 6-bromo-;6-Bromobenzothiophene in isooctane;6-Bromobenzo[b]thiophene;6-Bromo-benzo[b]thiophene | | CAS: | 17347-32-9 | | MF: | C8H5BrS | | MW: | 213.09 | | EINECS: | 605-681-3 | | Product Categories: | | | Mol File: | 17347-32-9.mol | ![6-Bromo-benzo[b]thiophene Structure](CAS/GIF/17347-32-9.gif) |
| | 6-Bromo-benzo[b]thiophene Chemical Properties |
| Melting point | 56.0 to 60.0 °C | | Boiling point | 140°C/30mmHg(lit.) | | density | 1.649±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | color | White to Light yellow | | InChI | InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H | | InChIKey | OQIMJOXSDVGEBU-UHFFFAOYSA-N | | SMILES | C12=CC(Br)=CC=C1C=CS2 |
| Hazard Codes | Xn | | Risk Statements | 22-36 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 2934999090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2 |
| | 6-Bromo-benzo[b]thiophene Usage And Synthesis |
| Chemical Properties | off-white powder | | Uses | 6-Bromobenzo[b]thiophene is a reagent for the synthesis of aminobenzo[b]thiophene 1,1-dioxides as STAT3 inhibitors with antitumor activities being an attractive therapeutic target for cancer therapy. | | Synthesis | Part C. Preparation of 6-bromobenzo[b]thiophene. 6-Bromobenzo[b]thiophene-2-carboxylic acid (0.70 g, 2.73 mmol) from Part B was mixed with DBU (1.35 mL, 8.94 mmol) in DMA (6 mL) in a sealed tube and heated in a microwave reactor for 70 min at 200 °C. After completion of the reaction, the resulting dark solution was diluted with 1 M HCl (20 mL) and extracted with dichloromethane (2 x 20 mL). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using dichloromethane as eluent to afford 6-bromobenzo[b]thiophene as an oil (0.484 g, 83% yield). | | References | [1] Journal of Medicinal Chemistry, 2016, vol. 59, # 1, p. 264 - 281
[2] Tetrahedron Letters, 2004, vol. 45, # 52, p. 9645 - 9647
[3] Patent: WO2009/39134, 2009, A1. Location in patent: Page/Page column 159
[4] Patent: WO2012/149413, 2012, A1. Location in patent: Page/Page column 59
[5] European Journal of Medicinal Chemistry, 2017, vol. 125, p. 538 - 550 |
| | 6-Bromo-benzo[b]thiophene Preparation Products And Raw materials |
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