Ethyl 2-oxo-4-phenylbutyrate - CAS 64920-29-2
Catalog: |
BB032591 |
Product Name: |
Ethyl 2-oxo-4-phenylbutyrate |
CAS: |
64920-29-2 |
Synonyms: |
ethyl 2-oxo-4-phenylbutanoate |
IUPAC Name: | ethyl 2-oxo-4-phenylbutanoate |
Description: | Ethyl 2-oxo-4-phenylbutyrate (CAS# 64920-29-2) is a compound useful in organic synthesis. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CCOC(=O)C(=O)CCC1=CC=CC=C1 |
InChI: | InChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
InChI Key: | STPXIOGYOLJXMZ-UHFFFAOYSA-N |
Boiling Point: | 132 °C (2 mmHg) |
Density: | 1.091 g/cm3 |
MDL: | MFCD00037533 |
LogP: | 1.75140 |
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PMID | Publication Date | Title | Journal |
22480179 | 20120420 | Efficient synthesis of a chiral precursor for angiotensin-converting enzyme (ACE) inhibitors in high space-time yield by a new reductase without external cofactors | Organic letters |
20480039 | 20100414 | Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example | International journal of molecular sciences |
18716813 | 20081101 | Effect of ionic liquid [BMIM][PF6] on asymmetric reduction of ethyl 2-oxo-4-phenylbutyrate by Saccharomyces cerevisiae | Journal of industrial microbiology & biotechnology |
17941701 | 20071201 | Biocatalytic reductions: from lab curiosity to 'first choice' | Accounts of chemical research |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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