2-(Diethoxyphosphoryl)acetic Acid - CAS 3095-95-2
Catalog: |
BB020759 |
Product Name: |
2-(Diethoxyphosphoryl)acetic Acid |
CAS: |
3095-95-2 |
Synonyms: |
2-diethoxyphosphorylacetic acid; 2-diethoxyphosphorylacetic acid |
IUPAC Name: | 2-diethoxyphosphorylacetic acid |
Description: | 2-(Diethoxyphosphoryl)acetic Acid (CAS# 3095-95-2) is a reagent that is used for enantioselective preparation of α-phosphoryl-α,β-unsatd.-δ-aryl-δ-lactones from nonracemic β-hydroxyaldehydes and their conversion to α-methylene-δ-aryl-δ-lactones. |
Molecular Weight: | 196.14 |
Molecular Formula: | C6H13O5P |
Canonical SMILES: | CCOP(=O)(CC(=O)O)OCC |
InChI: | InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8) |
InChI Key: | DVQMPWOLBFKUMM-UHFFFAOYSA-N |
Boiling Point: | 214.7 °C at 760 mmHg |
Density: | 1.167 g/cm3 |
MDL: | MFCD00192032 |
LogP: | 1.33710 |
GHS Hazard Statement: | H302 (93.18%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18975957 | 20081204 | Highly (E)-selective Wadsworth-Emmons reactions promoted by methylmagnesium bromide | Organic letters |
18941995 | 20081101 | Development of IC-ELISA for detection of organophosphorus pesticides in water | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes |
14980681 | 20040308 | Solid-phase synthesis of an N-(phenylalkyl)cinnamide library via Horner-Wadsworth-Emmons reaction | Bioorganic & medicinal chemistry letters |
12467417 | 20021213 | Acylation through Ketene Intermediates | The Journal of organic chemistry |
2521518 | 19890201 | Synthesis and antiviral activity of phosphonoacetic and phosphonoformic acid esters of 5-bromo-2'-deoxyuridine and related pyrimidine nucleosides and acyclonucleosides | Journal of medicinal chemistry |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.05006051 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.05006051 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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