Tetraethyl Methylenediphosphonate - CAS 1660-94-2
Catalog: |
BB012241 |
Product Name: |
Tetraethyl Methylenediphosphonate |
CAS: |
1660-94-2 |
Synonyms: |
1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane; 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane |
IUPAC Name: | 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane |
Description: | Tetraethyl Methylenediphosphonate (CAS# 1660-94-2) is used as a reagent in the sunthesis of Jak1 kinase inhibitors stemming from tricyclic pyrrolopyrazines. |
Molecular Weight: | 288.21 |
Molecular Formula: | C9H22O6P2 |
Canonical SMILES: | CCOP(=O)(CP(=O)(OCC)OCC)OCC |
InChI: | InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3 |
InChI Key: | STJWVOQLJPNAQL-UHFFFAOYSA-N |
Boiling Point: | 319.9 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Appearance: | Clear colorless liquid |
MDL: | MFCD00039887 |
LogP: | 3.47610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292402-A | Method for synthesizing 3, 8-dimethyl-3, 5, 7-octatriene-1, 10-dialdehyde | 20210506 |
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CN-112961182-A | Method for preparing tetraethyl methylenediphosphonate | 20210207 |
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PMID | Publication Date | Title | Journal |
22243546 | 20120501 | Synthesis of 5- and 6-N-heterocyclic methylenebisphosphonate derivatives and evaluation of their cytogenetic activity in normal human lymphocyte cultures | Chemical biology & drug design |
22444025 | 20120501 | Inhibitory effect of novel S,N-bisphosphonates on some carcinoma cell lines, osteoarthritis, and chronic inflammation | European journal of medicinal chemistry |
21989682 | 20120201 | Elaborating on efficient anti-proliferation agents of cancer cells and anti-inflammatory-based N-bisphosphonic acids | Archiv der Pharmazie |
17870210 | 20080501 | Synthesis, properties, and perspectives of gem-diphosphono substituted-thiazoles | European journal of medicinal chemistry |
16526772 | 20060317 | Reactions of fullerenes with reactive methylene organophosphorus reagents: efficient synthesis of organophosphorus group substituted C60 and C70 derivatives | The Journal of organic chemistry |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.08916241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.08916241 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 71.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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