tert-Butyl chloro(trimethylsilyl)acetate

HCID 15251663

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Basic information

CAS: 66406-43-7
Standard SMILES: CC(C)(C)OC(=O)C(Cl)[Si](C)(C)C
InChIKey: REVBFXGFKCMPSR-UHFFFAOYSA-N
Molecular formula: C9H19ClO2Si
Average molar mass: 222.78 g/mol
Monoisotopic mass: 222.08428406

Names & identifiers

Preferred name: tert-Butyl chloro(trimethylsilyl)acetate
IUPAC: tert-butyl 2-chloro-2-trimethylsilylacetate
English name: tert-Butyl-2-chloro-2-trimethylsilylacetate
Molecular formula: C9H19ClO2Si
Molecular weight: 222.78

Names & synonyms

66406-43-7tert-Butyl chloro(trimethylsilyl)acetateDTXSID50570480RefChem:383748DTXCID70521252TERT-BUTYL 2-CHLORO-2-TRIMETHYLSILYLACETATESCHEMBL11187088t-butyl trimethylsilylchloroacetateREVBFXGFKCMPSR-UHFFFAOYSA-Nt-Butyl 2-Chloro-2-trimethylsilylacetatetert-Butyl-2-chloro-2-trimethylsilylacetateAcetic acid, 2-chloro-2-(trimethylsilyl)-, 1,1-dimethylethyl ester

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tert-Butyl-2-chloro-2-trimethylsilylacetate**CUSTOMSYNTHESISPLEASEASK**

Database identifiers

CAS: 66406-43-7
PubChem CID: 15251663
DTXSID: DTXSID50570480

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 221.2 · 221.2±20.0 °C(Predicted)
Density: 0.976 · 0.976±0.06 g/cm3(Predicted)

Chemistry & industry

Preparation methods

PreparationTert-butyl-2-chloro-2-trimethylsilylacetate is prepared from t-Butyl Chloroacetate by sequential reaction with Lithium Diisopropylamide and Chlorotrimethylsilane followed by aqueous workup and distillation.