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Basic Description
| Synonyms | 2-(triphenylphosphoranylidene)acetic acid methyl ester | (carbomethoxymethylene) triphenylphosphorane | InChI=1/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,1H | NCGC00161084-02 | methoxylcarbonylmethylenetriph |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylphosphines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylphosphines and derivatives |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Triphenylphosphine - Phenylphosphine - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488182392 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182392 |
| IUPAC Name | methyl 2-(triphenyl-λ5-phosphanylidene)acetate |
| 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 |
| InChIKey | NTNUDYROPUKXNA-UHFFFAOYSA-N |
| Smiles | COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Isomeric SMILES | COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| WGK Germany | 3 |
| Molecular Weight | 334.35 |
| Beilstein | 618430 |
| Reaxy-Rn | 618430 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=618430&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2310493 |
Certificate of Analysis | Nov 15, 2024 | M102917 |
| B2310563 |
Certificate of Analysis | Nov 15, 2024 | M102917 |
| B2310666 |
Certificate of Analysis | Nov 15, 2024 | M102917 |
| B2310599 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| B2310564 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| B2311098 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| C2507060 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| B2310665 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| B2310638 |
Certificate of Analysis | Nov 11, 2024 | M102917 |
| K2125746 |
Certificate of Analysis | Aug 21, 2023 | M102917 |
| K2125727 |
Certificate of Analysis | Aug 21, 2023 | M102917 |
| K2125728 |
Certificate of Analysis | Aug 21, 2023 | M102917 |
| G2031086 |
Certificate of Analysis | May 10, 2022 | M102917 |
| G2031085 |
Certificate of Analysis | May 10, 2022 | M102917 |
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Chemical and Physical Properties
| Solubility | Soluble in chloroform. Slightly soluble in ethanol and terahydrofuran. Insoluble in water. |
|---|---|
| Sensitivity | Air sensitive. |
| Melt Point(°C) | 164-169℃ |
| Molecular Weight | 334.300 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.112 Da |
| Monoisotopic Mass | 334.112 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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