| Identification | Back Directory | [Name]
Isoquinoline, 6-(1-methylethyl)- (9CI) | [CAS]
790304-84-6 | [Synonyms]
6-isopropylisoquinoline
6-propan-2-ylisoquinoline
Isoquinoline,6-(1-methylethyl)-
Isoquinoline, 6-(1-methylethyl)- (9CI) | [EINECS(EC#)]
232-940-4 | [Molecular Formula]
C12H13N | [MDL Number]
MFCD15526639 | [MOL File]
790304-84-6.mol | [Molecular Weight]
171.238 |
| Chemical Properties | Back Directory | [Melting point ]
44-45 °C | [Boiling point ]
284.1±9.0 °C(Predicted) | [density ]
1.026±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
5.80±0.10(Predicted) | [Appearance]
White to off-white Solid | [InChI]
InChI=1S/C12H13N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-9H,1-2H3 | [InChIKey]
ILBIJOWSHVGZPU-UHFFFAOYSA-N | [SMILES]
C1C2=C(C=C(C(C)C)C=C2)C=CN=1 |
| Hazard Information | Back Directory | [Description]
Isoquinoline, 6-(1-methylethyl)- (9CI) also known as 6-Isopropylisoquinoline is an aromatic compound used as a flavouring ingredient in cosmetics and fragrances, and mixes well with other scents in men's fragrances. It is also used as an intermediate in organic and synthetic materials. | [Chemical Properties]
Light Yellow liquid | [Uses]
6-isopropylisoquinoline is a heterocyclic organic compound and can be used as a pharmaceutical intermediate. | [Application]
6-Isopropylisoquinoline is an organic synthetic intermediate used in the preparation of electroluminescent materials. | [Synthesis]
6-Chloroisoquinoline (4.8 g, 29.3 mmol), isopropylboronic acid (7.7 g, 88 mmol), dicyclohexyl(2,6-dimethoxy-[11-biphenyl]-2-yl)phosphine (0.962 g, 2.34 mmol), Pd2(dba)3 (0.536 g, 0.586 mmol), K3PO4 (21.8 g, 103 mmol), 150 mL of toluene and 15 mL of water were charged into a flask. The reaction mixture was purged by bubbling N2 for 30 minutes and then heated to reflux overnight. GC-MS analysis indicated that the reaction was complete. Silica gel chromatography using 15% ethyl acetate (v/v) in hexane as the eluent produced 4.7 g of 6-Isopropylisoquinoline. |
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