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| | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID Basic information |
| Product Name: | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID | | Synonyms: | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID;2-Methylpyrrole-3-carboxylic acid;1H-Pyrrole-3-carboxylic acid, 2-Methyl-;2-Methyl-1H-Pyrrole-3-Carboxylic Acid(WX614100);2-Methyl-3-pyrrolecarboxylic acid | | CAS: | 37102-48-0 | | MF: | C6H7NO2 | | MW: | 125.13 | | EINECS: | | | Product Categories: | | | Mol File: | 37102-48-0.mol |  |
| | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID Chemical Properties |
| Melting point | 178-179℃ | | Boiling point | 322.4±22.0 °C(Predicted) | | density | 1.295 | | storage temp. | Sealed in dry,Room Temperature | | pka | 5.60±0.50(Predicted) | | form | solid | | Appearance | Light brown to brown Solid | | InChI | InChI=1S/C6H7NO2/c1-4-5(6(8)9)2-3-7-4/h2-3,7H,1H3,(H,8,9) | | InChIKey | YBJBJOLFTYIFKP-UHFFFAOYSA-N | | SMILES | N1C=CC(C(O)=O)=C1C |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID Usage And Synthesis |
| Uses | 2-Methyl-1H-Pyrrole-3-carboxylic acid was examined for its inhibitory properties of BET bromodomains. 2-Methyl-1H-Pyrrole-3-carboxylic acid is also patented as a plant-growth regulator. | | Synthesis | Example 149a Synthesis of 2-methyl-1H-pyrrole-3-carboxylic acid: an aqueous solution (20 mL) of lithium hydroxide (1.563 g, 65.3 mmol) was added to a solution of dioxane (20 mL) containing ethyl 2-methyl-1H-pyrrole-3-carboxylate (2.0 g, 13.06 mmol). The reaction mixture was heated under reflux conditions for 4 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently extracted by partitioning with ethyl acetate and 1 M hydrochloric acid. The organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford the target compound 2-methyl-1H-pyrrole-3-carboxylic acid (1.513 g, 93% yield). | | References | [1] Patent: US2014/275079, 2014, A1. Location in patent: Paragraph 0604
[2] Organic and Biomolecular Chemistry, 2015, vol. 13, # 29, p. 7911 - 7914
[3] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 10, p. 2225 - 2233
[4] Chemische Berichte, 1911, vol. 44, p. 490
[5] Chemische Berichte, 1918, vol. 51, p. 569 |
| | 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID Preparation Products And Raw materials |
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