Identification | Back Directory | [Name]
2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID | [CAS]
37102-48-0 | [Synonyms]
2-Methylpyrrole-3-carboxylic acid 2-Methyl-3-pyrrolecarboxylic acid 2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID 1H-Pyrrole-3-carboxylic acid, 2-Methyl- 2-Methyl-1H-Pyrrole-3-Carboxylic Acid(WX614100) | [Molecular Formula]
C6H7NO2 | [MDL Number]
MFCD01625949 | [MOL File]
37102-48-0.mol | [Molecular Weight]
125.13 |
Chemical Properties | Back Directory | [Melting point ]
178-179℃ | [Boiling point ]
322.4±22.0 °C(Predicted) | [density ]
1.295 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
5.60±0.50(Predicted) | [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 Information | Back Directory | [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 |
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Company Name: |
Tetranov Biopharm
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Tel: |
13526569071 |
Website: |
http://www.leadmedpharm.com/index.html |
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