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| | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97 Basic information |
| Product Name: | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97 | | Synonyms: | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97;CC 44201;1-Methyl-1H-indole-6-carboxylic acid 97%;1-methyl-1H-indole-6-carboxylic acid(SALTDATA: FREE);6-Carboxy-1-methyl-1H-indole;1-methyl-6-indolecarboxylic acid;1H-Indole-6-carboxylic acid, 1-methyl-;1-Methyl-1H-indol-6-carboxylic acid | | CAS: | 202745-73-1 | | MF: | C10H9NO2 | | MW: | 175.18 | | EINECS: | | | Product Categories: | | | Mol File: | 202745-73-1.mol |  |
| | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97 Chemical Properties |
| Melting point | 197 °C | | Boiling point | 389.0±15.0 °C(Predicted) | | density | 1.24±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | pka | 4.53±0.30(Predicted) | | color | Pale yellow | | InChI | 1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13) | | InChIKey | DJQOGNYSBOIJKE-UHFFFAOYSA-N | | SMILES | Cn1ccc2ccc(cc12)C(O)=O |
| WGK Germany | WGK 3 | | Hazard Note | Harmful | | HazardClass | IRRITANT | | HS Code | 2933998090 | | Storage Class | 11 - Combustible Solids |
| | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97 Usage And Synthesis |
| Synthesis | Step 2: Synthesis of 1-methyl-1H-indole-6-carboxylic acid (167). Methyl 1-methyl-1H-indole-6-carboxylate (166, 1.24 mmol) was reacted with sodium hydroxide (0.59 g, 14.88 mmol) in a solvent mixture of methanol/THF/water (2:2:1, 7.5 mL) with stirring for 36 h at room temperature. A precipitate was generated during the reaction and the precipitate was collected by filtration followed by lyophilization overnight to afford the target product 1-methyl-6-indolecarboxylic acid (167, 0.54 g, 99% yield). Mass spectral data: calculated (Calc) 175.06, observed (Obs) 176.1. | | References | [1] Patent: WO2005/30704, 2005, A1. Location in patent: Page/Page column 199-200
[2] Patent: WO2008/65508, 2008, A1. Location in patent: Page/Page column 32
[3] Heterocycles, 2006, vol. 67, # 2, p. 643 - 653 |
| | 1-METHYL-1H-INDOLE-6-CARBOXYLIC ACID 97 Preparation Products And Raw materials |
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