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Merck
모든 사진(3)

주요 문서

380067

Sigma-Aldrich

4,4-Dimethoxy-2-butanone

technical grade, ≥90%

동의어(들):

3-Oxobutyraldehyde dimethylacetal, 3-Ketobutyraldehyde dimethyl acetal, 4,4-Dimethoxy-2-butanone, Acetylacetaldehyde dimethylacetal

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About This Item

Linear Formula:
CH3COCH2CH(OCH3)2
CAS Number:
Molecular Weight:
132.16
Beilstein:
1702372
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

Grade

technical grade

Quality Level

분석

≥90%

양식

liquid

refractive index

n20/D 1.414 (lit.)

bp

70-73 °C/20 mmHg (lit.)

density

0.996 g/mL at 25 °C (lit.)

작용기

acetal
ether
ketone

SMILES string

COC(CC(C)=O)OC

InChI

1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3

InChI key

PJCCSZUMZMCWSX-UHFFFAOYSA-N

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일반 설명

4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.

애플리케이션

4,4-Dimethoxy-2-butanone (β-ketobutyracetal) may be used in the preparation of:
  • (R)-4,4-dimethoxy-2-butanol
  • pyrazoles and pyrimidines
  • [7,16-dihydro- 6,15( 17)-dimetbyldibenzo[b,i]-[1,4,8,11]tetrilazacyclotetradecinato-N5,N9,N14,N18]nickel{II)
4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) may be used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.

픽토그램

Flame

신호어

Warning

유해 및 위험 성명서

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point (°F)

134.6 °F - closed cup

Flash Point (°C)

57 °C - closed cup

개인 보호 장비

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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시험 성적서(COA)

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문서 라이브러리 방문

Olga B Gutiérrez Acosta et al.
Applied and environmental microbiology, 79(20), 6228-6235 (2013-08-06)
Acetone is activated by aerobic and nitrate-reducing bacteria via an ATP-dependent carboxylation reaction to form acetoacetate as the first reaction product. In the activation of acetone by sulfate-reducing bacteria, acetoacetate has not been found to be an intermediate. Here, we
β-keto acetals. I. Synthesis of pyrazoles and pyrimidines and the steric inhibition of resonance in 5-alkyl-1-p-nitrophenylpyrazoles.
Burness DM.
The Journal of Organic Chemistry, 21(1), 97-101 (1956)
Yamadazyma Farinosa IFO 10896-mediated reduction of 4, 4-dimethoxy-2-butanone as the key-step for the preparation of 1, 3-diols with unsymmetrical substituents.
Yamazaki T, et al.
Synthetic Communications, 30(16), 3061-3072 (2000)
2-Arylpyrazolo [1,5-a] pyrimidin-3-yl acetamides. New potent and selective peripheral benzodiazepine receptor ligands.
Selleri S, et al.
BioTechnology: An Indian Journal, 9(10), 2661-2671 (2001)
Facile template synthesis of nickel (II) complexes of dibenzotetraaza [14] annulenes.
Cutler AR, et al.
Inorganic Chemistry, 24(14), 2276-2281 (1985)

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