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MedKoo Cat#: 558351 | Name: Diketene

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Diketene, also known as Acetyl ketene, is used as intermediates in the manufacture of pharmaceuticals, insecticides and dyes. For example pyrazolones are formed from substituted phenylhydrazines, they were used as analgetics but are now largely obsolete. With methylamine diketenes reacts to N,N'-dimethylacetoacetamide which is chlorinated with sulfuryl chloride and reacted with trimethyl phosphite to the highly toxic insecticide monocrotophos (especially toxic to bees). Diketenes react with substituted aromatic amines to acetoacetanilides, which are important precursors for mostly yellow, orange or red azo dyes and azo pigments. Diketenes are also used in the manufacture of paper for sizing of paper in order to improve their printability (by hydrophobization).

Chemical Structure

Diketene
CAS#674-82-8

Theoretical Analysis

MedKoo Cat#: 558351

Name: Diketene

CAS#: 674-82-8

Chemical Formula: C4H4O2

Exact Mass: 84.0211

Molecular Weight: 84.07

Elemental Analysis: C, 57.14; H, 4.80; O, 38.06

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Synonym
Acetyl ketene; Diketene;
IUPAC/Chemical Name
2-Oxetanone, 4-methylene-
InChi Key
WASQWSOJHCZDFK-UHFFFAOYSA-N
InChi Code
InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2
SMILES Code
O=C(C1)OC1=C
Appearance
Yellow liquid (b.p.69 - 70 °C 100 mmHg)
Purity
>95% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as hazardous and dangerous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info
Biological target:
Diketene, also known as Acetyl ketene, is used as a chemical intermediate for acetoacetic esters and acetoacetanilides, dyes, pharmaceuticals, food preservatives, and insecticides.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 84.07 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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