tert-Butyl P,P-dimethylphosphonoacetate
ALDRICH/79522 - ≥97.0% (GC)
Synonym: tert-Butyl ((oxo)
CAS Number: 62327-21-3
Empirical Formula (Hill Notation): C8H17O5P
Molecular Weight: 224.19
MDL Number: MFCD00042939
Linear Formula: (CH3O)2P(O)CH2COOC(CH3)3
Product Type: Chemical
| assay | ≥97.0% (GC) |
| bp | 86-87 °C/0.02 mmHg (lit.) |
| density | 1.131 g/mL at 20 °C (lit.) |
| form | liquid |
| InChI | 1S/C8H17O5P/c1-8(2,3)13-7 |
| InChI key | SAZYDWOWLRDDRQ-UHFFFAOYSA |
| reaction suitability | reaction type: C-C Bond Formation |
| refractive index | n |
| SMILES string | COP(=O)(CC(=O)OC(C)(C)C)O |
| Application: | Reactant for: • Preparation of phosphonate terminated PPH dendrimers as anti-HIV-1 agents • Preparation of monodehydro diketopiperazines from ketoacyl amino acid amides via acid-catalyzed cyclization • Preparation of α,β-unsaturated esters for use in the guanidine-catalyzed oxa-Michael addition • Preparation of myxopyronin B and desmethyl myxopyronin B analogs, with antibacterial activity and inhibitory activity against bacterial RNA polymerase • Allylation and subsequent ring-closing metathesis in presence of Grubbs′ catalyst or intramolecular rhodium-catalyzed cyclopropanation reactions |
| Other Notes: | Horner-Wittig reagent giving preferentially (E)-α,β-unsat. esters which are mildly saponified with acid. Synthesis of derivatives by reductive alkylation |
| Packaging: | 25, 100 mL in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 230.0 °F - closed cup |
| Flash Point(C) | 110.0 °C - closed cup |
| Purity | ≥97.0% (GC) |
| bp | 86-87 °C/0.02 mmHg (lit.) |
| Density | 1.131 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352108 |