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Key Documents

177164

Sigma-Aldrich

1,3-Cyclopentanedione

97%

Synonym(s):

1,3-Cyclopentadione

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About This Item

Linear Formula:
C5H6(=O)2
CAS Number:
Molecular Weight:
98.10
Beilstein:
1362728
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

powder

mp

149-151 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C1CCC(=O)C1

InChI

1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

InChI key

LOGSONSNCYTHPS-UHFFFAOYSA-N

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Application

1,3-Cyclopentanedione was used in the synthesis of chemical probes for selective labeling of sulfenic acid proteins.
Versatile reagent for synthesis of perhydroazulenes, PGB1 analogues, and Knoevenagel products.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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The Journal of Organic Chemistry, 58, 3953-3953 (1993)
Synlett, 539-539 (1993)
Aldrichimica Acta, 10, 19-19 (1977)
Jiang Qian et al.
Chemical communications (Cambridge, England), 47(32), 9203-9205 (2011-07-09)
Facile, two-step synthesis and kinetic characterization of new chemical probes for selective labeling of sulfenic acid (-SOH) in proteins are presented. The synthesis route relies on the simple and highly efficient Michael addition of thiol containing tags or linkers to
Carole Reymond et al.
Talanta, 205, 120063-120063 (2019-08-28)
A high number of factors controlled by the experimenter has to be optimized to successfully separate, ionize and detect compounds when analyzing complex matrices by liquid chromatography hyphenated to high resolution mass spectrometry (LC-UV/MS). Key steps to manage such hyphenation

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