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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:
107-71-1
Molecular Weight:
132.16
MDL number:
MFCD00048240
UNSPSC Code:
12162002
PubChem Substance ID:
24864203
NACRES:
NA.23

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

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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)

Signal Word

Danger

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 Code

5.2 - Organic peroxides and self-reacting hazardous materials

WGK

WGK 3

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 5: Self-reactive substances
Organic peroxides
Hazardous rank I
1st self-reactive materials

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

388076-VAR:
388076-500ML:4548173939360
388076-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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

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