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| | TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE Basic information |
| Product Name: | TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE | | Synonyms: | N-Boc-7-BroMo-1,2,3,4-Tetrahydroisoquinoline;TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;7-BroMo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester;2-Boc-7-bromo-3,4-dihydro-1H-isoquinoline;tert-butyl 7-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate;tert-butyl 7-bromo-1,2,3,4-tetrahydr;2-Boc-7-bromo-1,2,3,4-tetrahydroisoquinoline; METHTERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE | | CAS: | 258515-65-0 | | MF: | C14H18BrNO2 | | MW: | 312.2 | | EINECS: | | | Product Categories: | | | Mol File: | Mol File |  |
| | TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE Chemical Properties |
| Boiling point | 374.2±42.0 °C(Predicted) | | density | 1.353±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | -1.55±0.20(Predicted) | | Appearance | White to off-white Solid | | InChI | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3 | | InChIKey | PWPKRLMPHNRWHK-UHFFFAOYSA-N | | SMILES | C1C2=C(C=CC(Br)=C2)CCN1C(OC(C)(C)C)=O |
| | TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE Usage And Synthesis |
| Synthesis | To a mixed solution of 7-bromo-1,2,3,4-tetrahydroisoquinoline (1 g, 4.71 mmol) and sodium carbonate (1 g, 9.4 mmol) in tetrahydrofuran/water (16 mL/6 mL) was added di-tert-butyl dicarbonate (1.51 mL, 7.06 mmol). The reaction mixture was stirred at room temperature overnight. After the reaction was completed, the reaction mixture was diluted with water (50 mL) and extracted with ethyl acetate (50 mL x 3). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford tert-butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate as a colorless oil (1.46 g, 100% yield). | | References | [1] Patent: WO2014/89324, 2014, A1. Location in patent: Paragraph 0240
[2] Patent: CN104016979, 2017, B. Location in patent: Paragraph 0620; 0621
[3] Patent: US2010/240671, 2010, A1. Location in patent: Page/Page column 58
[4] Patent: WO2017/1853, 2017, A1. Location in patent: Page/Page column 42-43
[5] Patent: CN105524045, 2016, A. Location in patent: Paragraph 0274; 0275; 0276 |
| | TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE Preparation Products And Raw materials |
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