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Merck
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文件

380067

Sigma-Aldrich

4,4-二甲氧基-2-丁酮

technical grade, ≥90%

别名:

3-氧代丁醛二甲缩醛, 3-丁酮乙酰乙醛二甲缩醛, 4,4-二甲氧基-2-丁酮, 乙酰乙醛缩二甲醇

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About This Item

线性分子式:
CH3COCH2CH(OCH3)2
CAS号:
5436-21-5
分子量:
132.16
Beilstein:
1702372
EC號碼:
226-605-1
MDL號碼:
MFCD00008789
分類程式碼代碼:
12352100
PubChem物質ID:
24863716
NACRES:
NA.22

等級

technical grade

化驗

≥90%

形狀

liquid

折射率

n20/D 1.414 (lit.)

bp

70-73 °C/20 mmHg (lit.)

密度

0.996 g/mL at 25 °C (lit.)

SMILES 字串

COC(CC(C)=O)OC

InChI

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

InChI 密鑰

PJCCSZUMZMCWSX-UHFFFAOYSA-N

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相关类别

一般說明

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

應用

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.

象形圖

Flame
GHS02

訊號詞

Warning

危險聲明

H226

危險分類

Flam. Liq. 3

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 2

閃點（°F）

134.6 °F - closed cup

閃點（°C）

57 °C - closed cup

個人防護裝備

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

分析证书(COA)

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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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