Description

2-[(2-Methylpropan-2-yl)oxy]ethyl methanesulfonate (CAS No. 235098-18-7) is a high-purity organic compound with the molecular formula C₇H₁₆O₄S. This methanesulfonate ester derivative is characterized by its tert-butoxyethyl functional group, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a clear, colorless to pale yellow liquid with a purity of ≥95% (GC), ensuring consistency for demanding applications. It is stored under inert conditions to maintain stability and is packaged in amber glass bottles to protect against light degradation. Ideal for researchers in medicinal chemistry, this reagent is particularly useful for alkylation reactions and as a protecting group in multi-step syntheses.

Properties

• CAS Number: 235098-18-7
• Complexity: 207
• IUPAC Name: 2-tert-butoxyethyl methanesulfonate
• InChI: InChI=1S/C7H16O4S/c1-7(2,3)10-5-6-11-12(4,8)9/h5-6H2,1-4H3
• InChI Key: BFRZAOBUTPYLEH-UHFFFAOYSA-N
• Exact Mass: 196.07693016
• Molecular Formula: C7H16O4S
• Molecular Weight: 196.27
• SMILES: CC(C)(C)OCCOS(=O)(=O)C
• Topological: 61
• Monoisotopic Mass: 196.07693016
• Synonyms: 2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate, 2-((2-methylpropan-2-yl)oxy)ethyl methanesulfonate, 815-321-9, 2-TERT-BUTOXYETHYL METHANESULFONATE, 235098-18-7, 2-(tert-butoxy)ethyl methanesulfonate, C7H16O4S, MFCD11040486, 2-(t-butoxy)ethyl mesylate, F2147-1274, SCHEMBL3694219, DTXSID10594107, BFRZAOBUTPYLEH-UHFFFAOYSA-N, AR2801, AKOS006307562, 2-TERT-BUTOXYETHYLMETHANESULFONATE, AS-45445, DB-086531, CS-0076909, EN300-234776

Application

2-[(2-Methylpropan-2-yl)oxy]ethyl methanesulfonate is widely employed as a versatile alkylating agent in organic synthesis, particularly for introducing the tert-butoxyethyl group into target molecules. Its reactivity makes it suitable for nucleophilic substitution reactions, enabling the modification of pharmaceuticals and fine chemicals. Researchers also utilize this compound as a protecting group for alcohols and carboxylic acids in multi-step synthetic routes. Additionally, it serves as a precursor in the development of specialty polymers and surfactants.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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