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| | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Basic information |
| Product Name: | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | | Synonyms: | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;CHEMBRDG-BB 4002740;B90106;Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-;7-BroMo-1,2,3,4-tetrahydroisoquinoline, 97%, 97%;7-Bromo-1,2,3,4-tetrahydroisoquinoL;7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE ISO 9001：2015 REACH | | CAS: | 17680-55-6 | | MF: | C9H10BrN | | MW: | 212.09 | | EINECS: | | | Product Categories: | | | Mol File: | 17680-55-6.mol |  |
| | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Chemical Properties |
| Melting point | 32-35°C | | Boiling point | 282.9±40.0 °C(Predicted) | | density | 1.428±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | form | solid | | pka | 9.14±0.20(Predicted) | | color | White | | Water Solubility | Insoluble in water. | | InChI | InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2 | | InChIKey | OYODEQFZAJVROF-UHFFFAOYSA-N | | SMILES | C1C2=C(C=CC(Br)=C2)CCN1 |
| Hazard Codes | Xn | | Risk Statements | 22 | | WGK Germany | WGK 3 | | HS Code | 2933499090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Usage And Synthesis |
| Uses | 7-Bromo-1,2,3,4-tetrahydroisoquinoline is used as a pharmaceutical intermediate. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 63, p. 4116, 1998 DOI: 10.1021/jo972184e | | Synthesis | The general procedure for the synthesis of 7-bromo-1,2,3,4-tetrahydroisoquinoline from N-trifluoroacetyl-7-bromo-1,2,3,4-tetrahydroisoquinoline was as follows: 1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroacetophenone (14.3 g, 46.4 mmol) was added to a mixture of methanol (50 mL) and saturated sodium carbonate solution ( 50 mL) to a mixture of methanol (50 mL) and saturated sodium carbonate solution (50 mL). The reaction mixture was stirred at 60 °C for 1 hour. After completion of the reaction, the mixture was concentrated and the residue was extracted with ethyl acetate. The organic layers were combined, washed sequentially with water and brine, and then dried over anhydrous sodium sulfate. After evaporation of the solvent, the crude product was purified by column chromatography to afford the light yellow solid product 7-bromo-1,2,3,4-tetrahydroisoquinoline (8.4 g, 85% yield). Mass spectrometry analysis showed m/z 213.8 (M + 1). | | References | [1] Patent: WO2008/76954, 2008, A2. Location in patent: Page/Page column 51
[2] Patent: US2008/81803, 2008, A1. Location in patent: Page/Page column 34-35 |
| | 7-BROMO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Preparation Products And Raw materials |
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