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Key Documents

388076

Sigma-Aldrich

tert-Butyl peracetate solution

50 wt. % in odorless mineral spirits

Synonym(s):

tert -Butyl peracetate, tert -Butyl peroxyacetate

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About This Item

Linear Formula:
CH3CO3C(CH3)3
CAS Number:
Molecular Weight:
132.16
MDL number:
UNSPSC Code:
12162002
PubChem Substance ID:
NACRES:
NA.23

form

liquid

Quality Level

t1/2

10 hr(101 °C, 0.2 M in benzene)

concentration

50 wt. % in odorless mineral spirits

refractive index

n20/D 1.412

density

0.828 g/mL at 25 °C

SMILES string

CC(=O)OOC(C)(C)C

InChI

1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3

InChI key

SWAXTRYEYUTSAP-UHFFFAOYSA-N

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Application

Allows the direct copper catalyzed acetoxylation of β-lactams at the 4-position.
Reagent used as a methyl-radical source under photoredox catalysis in conjunction with photocatalyst [Ir{dF(CF3)ppy}2(dtbpy)]PF6 (Aldrich L511765) for late-stage functionalization of biologically active heterocycles.

Late-Stage Functionalization of Biologically Active Heterocycles Through Photoredox Catalysis

Product can be used with our line of photoreactors: Including Penn PhD (Z744035) & SynLED 2.0 (Z744080)

Flash Point(F)

98.6 °F - closed cup

Flash Point(C)

37 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Journal of the Chemical Society. Perkin Transactions 1, 277-277 (1990)

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