tert-Butyl acetate

• Catalog No.: L08855
• CAS Number: 540-88-5
• M. F.: C6H12O2
• M. W.: 116.15828
• Purity: 99%

SYNONYMS

• Title: 乙酸叔丁酯
• IUPAC name: tert-butyl acetate
• IUPAC Traditional name: tert-butyl acetate
• Synonyms: Acetic acid tert-butyl ester

DATABASE IDS

• CAS Number: 540-88-5
• MDL Number: MFCD00008807
• Merck Index: 141537
• Beilstein Number: 1699506
• EC Number: 208-760-7

PROPERTIES

• Purity: 99%
• Boiling Point: 94-96°C
• Density: 0.863
• Flash Point: 4°C(39°F)
• Melting Point: -62°C
• Refractive Index: 1.3865
• GHS Hazard statements: H225
• European Hazard Symbols: Flammable (F)
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Risk Statements: 11-66
• RTECS: AF7400000
• Safety Statements: 16-23-25-29-33
• TSCA Listed: 是
• Hazard Class: 3
• UN Number: UN1123
• Packing Group: II

REFERENCES

• Amino acids can be protected as their t-butyl esters, without prior N-protection, in the presence of perchloric acid in 1,4-dioxane: Liebigs Ann. Chem., 646, 134 (1961); or tosic acid and excess sulfuric acid: Org. Prep. Proced. Int., 18, 13 (1986). See Appendix 6. Mild transesterification of, e.g. methyl esters to the t-butyl analogues in the presence of catalytic KO-t-Bu has been reported: J. Org. Chem., 62, 8240 (1997).
• For lithiation with LDA and addition to acetone in quantitative yield, see: J. Am. Chem. Soc., 95, 3050 (1973). Coupling of the lithio-derivative with esters gives high yields of t-butyl 3-oxoalkanoates: Synthesis, 45 (1985).