HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,7-Di-tert-butyl-9,9-dimethylxanthene
2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE · 2,7-Di-tert-butyl-9,9-diMethyl-9H-xanthene · 2,7-Di-tert-butyl-9,9-dimethylxanthene 97% · 9H-Xanthene, 2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-
Identifiers & Physical Properties
| CAS No. | 130525-41-6 |
|---|---|
| Molecular formula | C23H30O |
| Average molar mass | 322.5 g/mol |
| Monoisotopic mass | 322.22966558 g/mol |
| SMILES | CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)ccc1O2 |
| InChIKey | COCYABCDIOEUAC-UHFFFAOYSA-N |
| PubChem CID | 4327890 |
| DTXSID | DTXSID00401977 |
Chemical & Physical Properties
| XLogP | 7.7 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 410 |
| Melting point | 188-192 °C (lit.) |
| Boiling point | 370.2±42.0 °C(Predicted) |
| Density | 0.980±0.06 g/cm3(Predicted) |
| InChI | InChI=1S/C23H30O/c1-21(2,3)15-9-11-19-17(13-15)23(7,8)18-14-16(22(4,5)6)10-12-20(18)24-19/h9-14H,1-8H3 |
| InChIKey | COCYABCDIOEUAC-UHFFFAOYSA-N |
| SMILES | C1(C)(C)C2=C(C=CC(C(C)(C)C)=C2)OC2=C1C=C(C(C)(C)C)C=C2 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 22-24/25 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
|---|---|
| Water hazard class (WGK) | 3 |
| Safety statements (S) | 22-24/25 |
| Storage class | 11 - Combustible Solids |
Applications & Uses
Uses
2,7-Di-tert-butyl-9,9-dimethylxanthene may be used in the preparation of 4,5-diamino-9,9′-dimethylxanthene.
General Description
Synthesis of a new series of diphosphine ligands based on 2,7-di-tert-butyl-9,9-dimethylxanthene has been reported.