Dimethyl dicarbonate
TL;DR: Dimethyl dicarbonate (CAS 4525-33-1) is a chemical compound with molecular formula C4H6O5 and molecular weight 134.02153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methoxycarbonyl methyl carbonate
Also Known As: dimethyl dicarbonate, Velcorin, Dimethyl pyrocarbonate, DMDC, Methyl pyrocarbonate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O5 |
| Molecular Weight | 134.02153 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.02153 Da |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| Melting Point | 15 - 17 °C |
| Boiling Point | BP: 44-47 °C at 5 mm Hg |
| Density | 1.25 mg/L at 25 °C |
| Refractive Index | Index of refraction: 1.392 at 20 °C/D |
| Solubility | Soluble in water with decomposition; miscible with toluene |
| SMILES | COC(=O)OC(=O)OC |
| InChIKey | GZDFHIJNHHMENY-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl dicarbonate 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 Dimethyl dicarbonate (CAS 4525-33-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dimethyl dicarbonate is a heterocyclic building block identified by CAS number 4525-33-1 and the molecular formula C4H6O5 and a molecular weight of 134.02 g/mol. Physically, the compound has a density of 1.25 mg/L at 25 °C g/cm³, a solubility: Soluble in water with decomposition; miscible with toluene. It is also known as dimethyl dicarbonate and Velcorin.
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 dicarbonate
Property Insights of Dimethyl dicarbonate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl dicarbonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl dicarbonate. Following Lipinski's Rule of Five, Dimethyl dicarbonate 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 Dimethyl dicarbonate?
The CAS number of Dimethyl dicarbonate is 4525-33-1.
What is the molecular formula of Dimethyl dicarbonate?
The molecular formula of Dimethyl dicarbonate is C4H6O5.
What is the molecular weight of Dimethyl dicarbonate?
The molecular weight of Dimethyl dicarbonate is 134.02153 g/mol.
What are the applications of Dimethyl dicarbonate?
Dimethyl dicarbonate 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 Dimethyl dicarbonate (CAS...
Where can I buy Dimethyl dicarbonate?
You can request a quote for Dimethyl dicarbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl dicarbonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl dicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.