Di-tert-butyl dicarbonate
TL;DR: Di-tert-butyl dicarbonate (CAS 24424-99-5) is a chemical compound with molecular formula C10H18O5 and molecular weight 218.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
Also Known As: Di-tert-butyl dicarbonate, BOC anhydride, BOC-anhydride, Boc2O, Diboc
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O5 |
| Molecular Weight | 218.11542 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.11542 Da |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
| Purity | ≥98.0% (GC) |
| Melting Point | 23.0 |
| Boiling Point | 56.0 |
| Density | 0.95 |
| Refractive Index | n20/D 1.409 (lit.) |
| SMILES | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C |
| InChIKey | DYHSDKLCOJIUFX-UHFFFAOYSA-N |
Product Description
Applications: Di-tert-butyl 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. Product profile: commercial lots are supplied at ≥98.0% (GC). Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Di-tert-butyl dicarbonate (CAS 24424-99-5) is a heterocyclic building block with the molecular formula C10H18O5 and a molecular weight of 218.12 g/mol. Key physical properties include a density of 0.95 g/cm³. Synonyms include Di-tert-butyl dicarbonate and BOC anhydride.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H226, H315, H317, H318, H330, H335, H2569, H9765
Chemical Property Profile of Di-tert-butyl dicarbonate
Property Insights of Di-tert-butyl dicarbonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl dicarbonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl dicarbonate. Following Lipinski's Rule of Five, Di-tert-butyl 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 Di-tert-butyl dicarbonate?
The CAS number of Di-tert-butyl dicarbonate is 24424-99-5.
What is the molecular formula of Di-tert-butyl dicarbonate?
The molecular formula of Di-tert-butyl dicarbonate is C10H18O5.
What is the molecular weight of Di-tert-butyl dicarbonate?
The molecular weight of Di-tert-butyl dicarbonate is 218.11542 g/mol.
What are the applications of Di-tert-butyl dicarbonate?
Di-tert-butyl 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. Product profile: commercial lots are supplied at...
Where can I buy Di-tert-butyl dicarbonate?
You can request a quote for Di-tert-butyl dicarbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Di-tert-butyl dicarbonate?
Yes, CoreyChem provides custom synthesis services for Di-tert-butyl dicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
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