| Identification | Back Directory | [Name]
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE | [CAS]
258515-65-0 | [Synonyms]
tert-butyl 7-bromo-1,2,3,4-tetrahydr
2-Boc-7-bromo-3,4-dihydro-1H-isoquinoline
N-Boc-7-BroMo-1,2,3,4-Tetrahydroisoquinoline
2-Boc-7-bromo-1,2,3,4-tetrahydroisoquinoline
ert-butyl7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
tert-butyl 7-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
METHTERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
7-BroMo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE ISO 9001：2015 REACH | [Molecular Formula]
C14H18BrNO2 | [MDL Number]
MFCD08752229 | [MOL File]
258515-65-0.mol | [Molecular Weight]
312.2 |
| Chemical Properties | Back Directory | [Boiling point ]
374.2±42.0 °C(Predicted) | [density ]
1.353±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,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 |
| Hazard Information | Back Directory | [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 |
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