Dimethyl allylphosphonate
TL;DR: Dimethyl allylphosphonate (CAS 757-54-0) is a chemical compound with molecular formula COP(=O)(CC=C)OC and molecular weight 150.04459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dimethoxyphosphorylprop-1-ene
Also Known As: Dimethyl allylphosphonate, 3-dimethoxyphosphorylprop-1-ene, Dimethyl(allyl)phosphonate, Allylphosphonic acid dimethyl, allylphosphonic acid dimethyl ester
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | COP(=O)(CC=C)OC |
| Molecular Weight | 150.04459 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.04459 Da |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
| SMILES | COP(=O)(CC=C)OC |
| InChIKey | ZOSQAGGCVFVCNO-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl allylphosphonate is used in organometallic chemistry, cross-coupling reactions, and metal-mediated transformations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dimethyl allylphosphonate (CAS 757-54-0) is a organometallic reagent with the molecular formula COP(=O)(CC=C)OC and a molecular weight of 150.04 g/mol. Synonyms include Dimethyl allylphosphonate and 3-dimethoxyphosphorylprop-1-ene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dimethyl allylphosphonate
Property Insights of Dimethyl allylphosphonate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl allylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl allylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl allylphosphonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl allylphosphonate?
The CAS number of Dimethyl allylphosphonate is 757-54-0.
What is the molecular formula of Dimethyl allylphosphonate?
The molecular formula of Dimethyl allylphosphonate is COP(=O)(CC=C)OC.
What is the molecular weight of Dimethyl allylphosphonate?
The molecular weight of Dimethyl allylphosphonate is 150.04459 g/mol.
What are the applications of Dimethyl allylphosphonate?
Dimethyl allylphosphonate is used in organometallic chemistry, cross-coupling reactions, and metal-mediated transformations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available...
Where can I buy Dimethyl allylphosphonate?
You can request a quote for Dimethyl allylphosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl allylphosphonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl allylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.