Ethyl 2-methylacetoacetate
TL;DR: Ethyl 2-methylacetoacetate (CAS 609-14-3) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methyl-3-oxobutanoate
Also Known As: Ethyl 2-methylacetoacetate, Ethyl 2-methyl-3-oxobutanoate, Ethyl 2-acetylpropionate, Ethyl methylacetoacetate, Ethyl-2-methyl acetoacetate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
| SMILES | CCOC(=O)C(C)C(=O)C |
| InChIKey | FNENWZWNOPCZGK-UHFFFAOYSA-N |
Product Description
Applications: Ethyl 2-methylacetoacetate 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. CoreyChem supplies Ethyl 2-methylacetoacetate (CAS 609-14-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl 2-methylacetoacetate is a heterocyclic building block identified by CAS number 609-14-3 and the molecular formula C7H12O3 and a molecular weight of 144.08 g/mol. It is also known as Ethyl 2-methylacetoacetate and Ethyl 2-methyl-3-oxobutanoate.
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 Ethyl 2-methylacetoacetate
Property Insights of Ethyl 2-methylacetoacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methylacetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-methylacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methylacetoacetate 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 Ethyl 2-methylacetoacetate?
The CAS number of Ethyl 2-methylacetoacetate is 609-14-3.
What is the molecular formula of Ethyl 2-methylacetoacetate?
The molecular formula of Ethyl 2-methylacetoacetate is C7H12O3.
What is the molecular weight of Ethyl 2-methylacetoacetate?
The molecular weight of Ethyl 2-methylacetoacetate is 144.07864 g/mol.
What are the applications of Ethyl 2-methylacetoacetate?
Ethyl 2-methylacetoacetate 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. CoreyChem supplies Ethyl 2-methylacetoacetate...
Where can I buy Ethyl 2-methylacetoacetate?
You can request a quote for Ethyl 2-methylacetoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methylacetoacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.