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| | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid Basic information | | Application |
| Product Name: | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid | | Synonyms: | AKOS BB-8836;CHEMBRDG-BB 4400181;2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(SALTDATA: HCl);3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-Methyl-;1,2,3,4-Tetrahydro-2-methyl-3-isoquinolinecarboxylic acid;2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrobromide≥ 95% (NMR);2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid | | CAS: | 54329-54-3 | | MF: | C11H13NO2 | | MW: | 191.23 | | EINECS: | | | Product Categories: | | | Mol File: | 54329-54-3.mol |  |
| | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid Chemical Properties |
| Boiling point | 343.0±42.0 °C(Predicted) | | density | 1.198±0.06 g/cm3 (20 ºC 760 Torr) | | storage temp. | Sealed in dry,Room Temperature | | pka | 2.22±0.20(Predicted) | | InChI | InChI=1S/C11H13NO2/c1-12-7-9-5-3-2-4-8(9)6-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14) | | InChIKey | SKFOSDNQLGCEHM-UHFFFAOYSA-N | | SMILES | C1C2=C(C=CC=C2)CC(C(O)=O)N1C |
| Hazard Codes | Xi | | HazardClass | IRRITANT |
| | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid Usage And Synthesis |
| Application | DL-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development processes and chemical production processes. | | Chemical Properties | White to off-white crystalline powder | | Synthesis | GENERAL STEPS: Preparation of Example 3 2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
0.364 g (2.07 mmol) of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid was dissolved in 25 mL of formic acid. To this solution was added 2.5 mL of 37% formaldehyde solution. The resulting mixture was heated to reflux for about 17 hours. Upon completion of the reaction, the mixture was cooled and concentrated under reduced pressure to give a gummy substance. The gummy was dissolved in 3.0 mL of water and the pH was adjusted with hydrochloric acid to 2. Subsequently, purification was carried out using ion exchange chromatography (Dowex 50x-8, 100 mesh) to give 0.21 g of yellow powdery product in 53% yield.
Product characterization data:
1H NMR (DMSO-d6): δ 2.56 (s, 3H), 3.01 (m, 2H), 3.48 (t, 1H), 3.9 (dd, 2H), 7.05 (m, 1H), 7.13 (m, 3H).
MS (FD): m/e 192 (M+2). | | References | [1] Patent: US5491166, 1996, A |
| | 2-Methyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid Preparation Products And Raw materials |
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