Ethyl 2,4-Dimethylpyrrole-3-carboxylate - CAS 2199-51-1
Catalog: |
BB017257 |
Product Name: |
Ethyl 2,4-Dimethylpyrrole-3-carboxylate |
CAS: |
2199-51-1 |
Synonyms: |
1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester; 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; 2,4-Dimethylpyrrole-3-carboxylic Acid Ethyl Ester; 2,4-Dimethyl-3-(ethoxycarbonyl)pyrrole; 2,4-Dimethyl-3-carbethoxypyrrole; 3-(Ethoxycarbonyl)-2,4-dimethylpyrrole; NSC 13425; Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester |
IUPAC Name: | ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate |
Description: | Ethyl 2,4-Dimethylpyrrole-3-carboxylate is an impurity of Sunitinib, which is an oral, small-molecule, multi-targeted receptor tyrosine kinase (RTK) inhibitor for the treatment of renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor (GIST). |
Molecular Weight: | 167.21 |
Molecular Formula: | C9H13NO2 |
Canonical SMILES: | CCOC(=O)C1=C(NC=C1C)C |
InChI: | InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3 |
InChI Key: | QWSFDUPEOPMXCV-UHFFFAOYSA-N |
Boiling Point: | 159-160°C at 10 Torr |
Melting Point: | 75-76°C |
Purity: | ≥95% |
Density: | 1.080±0.06 g/cm3 |
Solubility: | Soluble in DMSO, Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Red to Very Dark Red Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01365811 |
LogP: | 1.80820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188392-A1 | Boron-containing cyclic emissive compounds and color conversion film containing the same | 20200320 |
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PMID | Publication Date | Title | Journal |
19459701 | 20090624 | FerriBRIGHT: a rationally designed fluorescent probe for redox active metals | Journal of the American Chemical Society |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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