Ethyl 4-acetylbenzoate - CAS 38430-55-6
Catalog: |
BB023669 |
Product Name: |
Ethyl 4-acetylbenzoate |
CAS: |
38430-55-6 |
Synonyms: |
ethyl 4-acetylbenzoate |
IUPAC Name: | ethyl 4-acetylbenzoate |
Description: | Ethyl 4-acetylbenzoate (CAS# 38430-55-6) is used as a reagent to synthesize pyrazoles (e.g. 1H-Pyrazole [P842195]). Ethyl 4-acetylbenzoate is also used as a reagent to synthesize chiral hydrazines (e.g. (S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde [B288000]) from the catalytic enantioselective hydrogenation of N-alkoxycarbonyl hydrazones. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)C(=O)C |
InChI: | InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3 |
InChI Key: | GLOAPLPTWAXAIG-UHFFFAOYSA-N |
Boiling Point: | 310 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.096 g/cm3 |
Appearance: | White to beige crystalline powder |
MDL: | MFCD00013241 |
LogP: | 2.06590 |
Publication Number | Title | Priority Date |
US-2021078275-A1 | Foam compositions and uses thereof | 20190912 |
US-2021079186-A1 | Foam compositions and uses thereof | 20190912 |
US-2021079188-A1 | Foam compositions and uses thereof | 20190912 |
CN-111909133-A | Substituted 1-amino-1H-imidazole-5-carboxamides as brunauer tyrosine kinase inhibitors | 20190510 |
WO-2020228637-A1 | Substituted 1-amino-1h-imidazole-5-carboxamide as bruton's tyrosine kinase inhibitors | 20190510 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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