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| | Methyl 3-isoquinolinecarboxylate Basic information |
| | Methyl 3-isoquinolinecarboxylate Chemical Properties |
| Melting point | 86-88 °C (lit.) | | Boiling point | 321.94°C (rough estimate) | | density | 1.1963 (rough estimate) | | refractive index | 1.4900 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | form | powder | | pka | 2.58±0.30(Predicted) | | Appearance | Off-white to light yellow Solid | | BRN | 473630 | | InChI | InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3 | | InChIKey | ZBCGBIZQNMVMPC-UHFFFAOYSA-N | | SMILES | C1C2=C(C=CC=C2)C=C(C(OC)=O)N=1 | | CAS DataBase Reference | 27104-73-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 29334900 |
| | Methyl 3-isoquinolinecarboxylate Usage And Synthesis |
| Chemical Properties | Cream powder | | Uses | Methyl 3-isoquinolinecarboxylate was used in the preparation of 3-acetylisoquinoline. | | Definition | ChEBI: Methyl isoquinoline-3-carboxylate is a member of isoquinolines. | | Synthesis Reference(s) | Journal of Medicinal Chemistry, 25, p. 1081, 1982 DOI: 10.1021/jm00351a015 | | Synthesis | General procedure for the synthesis of methyl isoquinoline-3-carboxylate from methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate: In a 250 mL aubergine vial, (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (2) (4.23 g, 22.15 mmol) and N,N-dimethylformamide (50 mL) were added. Subsequently, potassium permanganate (2.97 g, 18.79 mmol) was added to the solution. After the reaction was carried out for 6 hours, ethanol (50 mL) was added and stirred for 30 minutes. After that, the solvent was removed and the residue was dissolved with methanol (30 mL). Finally, the residue was purified by column chromatography to give a colorless solid product (858 mg, 24.56% yield). | | References | [1] RSC Advances, 2017, vol. 7, # 77, p. 48848 - 48852
[2] Journal of Agricultural and Food Chemistry, 2018, vol. 66, # 34, p. 8957 - 8965
[3] Patent: CN106986825, 2017, A. Location in patent: Paragraph 0023; 0031; 0032 |
| | Methyl 3-isoquinolinecarboxylate Preparation Products And Raw materials |
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