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ChemicalBook--->CAS DataBase List--->229625-50-7

229625-50-7

229625-50-7 Structure

229625-50-7 Structure
IdentificationBack Directory
[Name]

PHOSPHORIC ACI DI-T-BUTYL EXTER CHLOROMETHYL ESTER
[CAS]

229625-50-7
[Synonyms]

Fostemsavir-SM
Foscarbidopa Impurity 20
Di-t-butyl chloromethyl phosphate
ditetrabutyl chloromethyl phosphate
Di-tert-butyl Chloromethyl Phosphate
Chloromethyl di-tert-butyl phosphate
Di-tert-butyl chloromethyl phosphate 95%
Di tertiary butyl chloromethyl phosphite
Phosphoric acid di-tert-butyl chloromethyl ester
PHOSPHORIC ACI DI-T-BUTYL EXTER CHLOROMETHYL ESTER
Phosphoric acid di-t-butyl ester chloromethyl ester
Phosphoric acid ditert-butyl ester chloromethyl ester
PHOSPHORIC ACI DI-Tert-BUTYL EXTER CHLOROMETHYL ESTER
Phosphoric acid, chloroMethyl bis(1,1-diMethylethyl) ester
Di-tert-butyl ChloromethylPhosphate (stabilized with K2CO3)
TIANFUCHEM-- PHOSPHORIC ACI DI-T-BUTYL EXTER CHLOROMETHYL ESTER
Di-tert-butyl (chloromethyl) phosphate (stabilized with potassium carbonate)
[Molecular Formula]

C9H20ClO4P
[MDL Number]

MFCD12165895
[MOL File]

229625-50-7.mol
[Molecular Weight]

258.679
Chemical PropertiesBack Directory
[Boiling point ]

272.9±23.0 °C(Predicted)
[density ]

1.115±0.06 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Benzene (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

Colourless Oil with White
[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
[InChIKey]

LNJAJHJFSKUCIR-UHFFFAOYSA-N
[SMILES]

P(OC(C)(C)C)(OC(C)(C)C)(OCCl)=O
[CAS DataBase Reference]

229625-50-7
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

36/37
[HS Code ]

29199000
Hazard InformationBack Directory
[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].
[Uses]

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.
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