Diethyl (ethoxymethylene)malonate
TL;DR: Diethyl (ethoxymethylene)malonate (CAS 87-13-8) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(ethoxymethylidene)propanedioate
Also Known As: Diethyl ethoxymethylenemalonate, Diethyl 2-(ethoxymethylene)malonate, Diethyl EMME, Diethyl (ethoxymethylene)malonate, Diethyl Ethoxymethylidenemalonate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O5 |
| Molecular Weight | 216.09978 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.09978 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | CCOC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | LTMHNWPUDSTBKD-UHFFFAOYSA-N |
Product Description
Applications: Diethyl (ethoxymethylene)malonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
Diethyl (ethoxymethylene)malonate (CAS 87-13-8) is a heterocyclic building block with the molecular formula C10H16O5 and a molecular weight of 216.1 g/mol. Synonyms include Diethyl ethoxymethylenemalonate and Diethyl 2-(ethoxymethylene)malonate.
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 Diethyl (ethoxymethylene)malonate
Property Insights of Diethyl (ethoxymethylene)malonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (ethoxymethylene)malonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (ethoxymethylene)malonate. Following Lipinski's Rule of Five, Diethyl (ethoxymethylene)malonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl (ethoxymethylene)malonate?
The CAS number of Diethyl (ethoxymethylene)malonate is 87-13-8.
What is the molecular formula of Diethyl (ethoxymethylene)malonate?
The molecular formula of Diethyl (ethoxymethylene)malonate is C10H16O5.
What is the molecular weight of Diethyl (ethoxymethylene)malonate?
The molecular weight of Diethyl (ethoxymethylene)malonate is 216.09978 g/mol.
What are the applications of Diethyl (ethoxymethylene)malonate?
Diethyl (ethoxymethylene)malonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Diethyl (ethoxymethylene)malonate?
You can request a quote for Diethyl (ethoxymethylene)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (ethoxymethylene)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (ethoxymethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.