Di-tert-butyl Chloromethyl Phosphate
- CAS NO.:229625-50-7
- Empirical Formula: C9H20ClO4P
- Molecular Weight: 258.68
- MDL number: MFCD12165895
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-26 18:30:47
What is Di-tert-butyl Chloromethyl Phosphate?
Description
Di-tert-butyl (chloromethyl) phosphate has become one of the most common reagents to prepare phosphon-oxymethyl pro-drugs, generally by direct alkylation of hydroxyl or amino groups. Its synthesis was first reported in 1999 via a reaction of di-tert-butyl tetramethylammonium phosphate with chloroiodomethane. This approach required the use of the corresponding tetramethylammonium phosphate and a vast excess (>11 equiv) of chloroiodomethane to minimize the formation of tetra-tert-butyl methylene bisphosphate[1].
The Uses of Di-tert-butyl Chloromethyl Phosphate
Used as an intermediate for laboratory research.
Synthesis
Di-tert-butyl (chloromethyl) phosphate, a key compound in the formation of many phosphon-oxymethyl pro-drugs, is prepared by reacting chloromethyl chlorosulfate (CMCS) with di-tert-butyl potassium phosphate (DTBPP) .
References
[1] Bin Zheng*. “Development of Efficient Processes for the Preparation of Di-tert-butyl Potassium Phosphate and Di-tert-butyl (Chloromethyl) Phosphate.” Organic Process Research & Development 18 5 (2014): 636–642.
Properties of Di-tert-butyl Chloromethyl Phosphate
Boiling point: | 272.9±23.0 °C(Predicted) |
Density | 1.115±0.06 g/cm3(Predicted) |
storage temp. | Inert atmosphere,2-8°C |
solubility | Benzene (Slightly), Methanol (Slightly) |
form | clear liquid |
color | Colorless to Light yellow |
Stability: | Moisture Sensitive |
InChI | InChI=1S/C9H20ClO4P/c1-8(2,3)13-15(11,12-7-10)14-9(4,5)6/h7H2,1-6H3 |
CAS DataBase Reference | 229625-50-7 |
Safety information for Di-tert-butyl Chloromethyl Phosphate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Di-tert-butyl Chloromethyl Phosphate
InChIKey | LNJAJHJFSKUCIR-UHFFFAOYSA-N |
SMILES | P(OC(C)(C)C)(OC(C)(C)C)(OCCl)=O |
Di-tert-butyl Chloromethyl Phosphate manufacturer
CiVentiChem Private Limited
Tosco Pharmachem Pvt Ltd
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