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21983-72-2

21983-72-2 Structure

21983-72-2 Structure
IdentificationBack Directory
[Name]

3,3-Dimethoxybutan-2-one
[CAS]

21983-72-2
[Synonyms]

3,3-DiMethoxy-2-butanon
3,3-DIMETHOXY-2-BUTANONE
3,3-Dimethoxybutan-2-one
3,5-dimethoxy-2-butanone
3,3-Dimethoxy-2-oxobutane
2-Butanone, 3,3-dimethoxy-
3,3-Dimethoxy-2-butanone,98%
3,3-Dimethoxybutan-2-one 98+%
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00075266
[MOL File]

21983-72-2.mol
[Molecular Weight]

132.16
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Boiling point ]

145-146 °C(lit.)
[density ]

0.987 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.407(lit.)
[Fp ]

113 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

liquid
[color ]

Clear, colourless
[InChI]

InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3
[InChIKey]

UFQBSPGKRRSATO-UHFFFAOYSA-N
[SMILES]

CC(=O)C(OC)(OC)C
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

3,3-Dimethoxy-2-butanone may be used as starting reagent in the synthesis of 6-acety1-l,2-dihydro-2-oxo-3-pyridinecarboxylic acid. It may be used in the preparation of 4,4-dimethoxy-3-oxo-1-phenyl-1-pentene.
[Uses]

3,3-Dimethoxybutan-2-one is used in preparation of 3-acetylpyrazole.
[General Description]

3,3-Dimethoxy-2-butanone is a biacetyl monoketal.
[Synthesis]

2,3-Butanedione

431-03-8

Trimethoxymethane

149-73-5

3,3-Dimethoxybutan-2-one

21983-72-2

The general procedure for the synthesis of 3,3-dimethoxy-2-butanone from 2,3-butanedione and trimethyl orthoformate was as follows: 2,3-butanedione (47.3 g, 0.55 mol) was added to a reaction flask equipped with a stirrer, and a mixture of trimethyl orthoformate (64.13 g, 0.605 mol) and p-toluenesulfonic acid (0.19 g) was slowly added dropwise at 15 °C. The reaction temperature was maintained at 15 °C and the reaction was continuously stirred for 7 h to ensure complete reaction. After completion of the reaction, potassium carbonate (1 g) was added to neutralize the reaction mixture and stirring was continued for 1 hour. Subsequently, distillation was carried out under reduced pressure at 100 mmHg and the crude product was collected. For further purification, the crude product was subjected to secondary distillation at 90 °C and 200 mbar. The yield of the final product was 83%.

[References]

[1] Patent: CN107382687, 2017, A. Location in patent: Paragraph 0009; 0022-0033
[2] Journal of Organic Chemistry, 1995, vol. 60, # 25, p. 8204 - 8208
[3] Journal of Chemical Research, Miniprint, 1985, # 3, p. 925 - 945
[4] Tetrahedron, 2003, vol. 59, # 13, p. 2231 - 2239
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29145000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Spectrum DetailBack Directory
[Spectrum Detail]

3,3-Dimethoxybutan-2-one(21983-72-2)1HNMR
3,3-Dimethoxybutan-2-one(21983-72-2)Raman
3,3-Dimethoxybutan-2-one(21983-72-2)IR
3,3-Dimethoxybutan-2-one(21983-72-2)FT-IR
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