388076

tert-Butyl peracetate solution

50 wt. % in odorless mineral spirits

• Synonym(s): tert -Butyl peracetate, tert -Butyl peroxyacetate
• Linear Formula: CH₃CO₃C(CH₃)₃
• CAS Number: 107-71-1
• Molecular Weight: 132.16
• MDL number: MFCD00048240
• UNSPSC Code: 12162002
• PubChem Substance ID: 24864203
• NACRES: NA.23

Properties

• form: liquid
• 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

Description

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)

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H226,H242,H302,H304,H315,H319,H335,H336,H340,H350
• pcodes: P210 - P280 - P301 + P310 - P331 - P370 + P378 - P403 + P235
• Hazard Classifications: Acute Tox. 4 Oral - Asp. Tox. 1 - Carc. 1B - Eye Irrit. 2 - Flam. Liq. 3 - Muta. 1B - Org. Perox. C - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• Storage Class: 5.2 - Organic peroxides and self-reacting hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 98.6 °F - closed cup
• flash_point_c: 37 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter