Ethyl 4-Hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate - CAS 343-67-9
Catalog: |
BB022089 |
Product Name: |
Ethyl 4-Hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate |
CAS: |
343-67-9 |
Synonyms: |
6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 4-Hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (CAS# 343-67-9) is a useful reagent in the study of NF-κB and AP-1 gene inhibitors. |
Molecular Weight: | 236.15 |
Molecular Formula: | C8H7F3N2O3 |
Canonical SMILES: | CCOC(=O)C1=CN=C(NC1=O)C(F)(F)F |
InChI: | InChI=1S/C8H7F3N2O3/c1-2-16-6(15)4-3-12-7(8(9,10)11)13-5(4)14/h3H,2H2,1H3,(H,12,13,14) |
InChI Key: | QTKCIBZWYLMGRS-UHFFFAOYSA-N |
Boiling Point: | 220.8 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD01571344 |
LogP: | 1.37770 |
Publication Number | Title | Priority Date |
KR-102006547-B1 | Benzamide derivatives compounds, preparation method thereof, and pharmaceutical composition for use in preventing or treating inflammatory disease as an active ingredient | 20171116 |
KR-20190056070-A | Benzamide derivatives compounds, preparation method thereof, and pharmaceutical composition for use in preventing or treating inflammatory disease as an active ingredient | 20171116 |
WO-2019098738-A1 | Benzamide derivative compound, method for preparing same, and pharmaceutical composition for treating or preventing inflammatory disease containing same as active ingredient | 20171116 |
CN-111356690-A | Benzamide derivative compound, preparation method thereof, and pharmaceutical composition for preventing or treating inflammatory disease comprising the same as active ingredient | 20171116 |
EP-3712149-A1 | Benzamide derivative compound, method for preparing same, and pharmaceutical composition for treating or preventing inflammatory disease containing same as active ingredient | 20171116 |
Complexity: | 385 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.04087658 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.04087658 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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