Methyl (Triphenylphosphoranylidene)acetate - CAS 2605-67-6
Catalog: |
BB019122 |
Product Name: |
Methyl (Triphenylphosphoranylidene)acetate |
CAS: |
2605-67-6 |
Synonyms: |
2-triphenylphosphoranylideneacetic acid methyl ester; methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
IUPAC Name: | methyl 2-(triphenyl-λ5-phosphanylidene)acetate |
Description: | Methyl (Triphenylphosphoranylidene)acetate (CAS# 2605-67-6) is a useful reagent for the total synthesis of linear pentaketide Modiolin. |
Molecular Weight: | 334.35 |
Molecular Formula: | C21H19O2P |
Canonical SMILES: | COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3 |
InChI Key: | NTNUDYROPUKXNA-UHFFFAOYSA-N |
Boiling Point: | 479.1 °C at 760 mmHg |
Density: | 1.17 g/cm3 |
MDL: | MFCD00008455 |
LogP: | 2.95570 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
20686269 | 20100801 | Chemical synthesis of (22E)-3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-chol-22-en-24-oic acid and its N-acylamidated conjugates with glycine or taurine: precursors of the [22,23-(3)H] labelled tracers | Chemical & pharmaceutical bulletin |
19418526 | 20090801 | Synthesis and insecticidal activity of new pyrethroids | Pest management science |
14657194 | 20040301 | Chemical synthesis of (22E)-3 alpha,6 beta,7 beta-trihydroxy-5 beta-chol-22-en-24-oic acid and its taurine and glycine conjugates: a major bile acid in the rat | Journal of lipid research |
12558430 | 20030207 | Preparation and chemistry of phosphoranyl-derived iodanes | The Journal of organic chemistry |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.11226684 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.11226684 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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