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Merck
CN

M3394

6-Methyl-2,4-heptanedione

≥98%

Synonym(s):

Isovalerylacetone, NSC 42238, NSC 42240, NSC 46469, NSC 94

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About This Item

Linear Formula:
(CH3)2CHCH2COCH2COCH3
CAS Number:
3002-23-1
Molecular Weight:
142.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57654375
EC Number:
221-093-6
Beilstein/REAXYS Number:
1751122
MDL number:
MFCD00008939

Key Documents

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Product Name

6-Methyl-2,4-heptanedione, ≥98%

InChI key

IGMOYJSFRIASIE-UHFFFAOYSA-N

InChI

1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

SMILES string

CC(C)CC(=O)CC(C)=O

assay

≥98%

color

colorless to faint yellow

density

0.92 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Quality Level

200

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Application

Reactant involved in:
  • Cyclocondensation and deacetylation of dibromo(phenylsulfonyl)propene derivatives for synthesis of disubstituted furans
  • Synthesis of dual activity effectors of angiotensin II type 1 receptors and peroxisome proliferator-activated receptor-γ
  • Addition reactions with 1-alkynes
  • Knoevenagel condensation
  • Oxidative free radical reactions with 2-amino-1,4-benzoquinones
  • Mild oxidative cleavage for synthesis of carboxylic acids

signalword

Warning

pictograms

FlameExclamation mark
GHS02,GHS07

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000452996
0000452996
0000497314
0000497314
SLCG5563

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Iwona Łakomska et al.
Materials (Basel, Switzerland), 13(23) (2020-12-02)
Herein, we present dicarboxylate platinum(II) complexes of the general formula [Pt(mal)(DMSO)(L)] and [Pt(CBDC)(DMSO)(L)], where L is dbtp 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine) or ibmtp (7-isobutyl-5-methyl-1,2,4- triazolo[1,5-a]pyrimidine), as prospective prodrugs. The platinum(II) complexes were synthesized in a one-pot reaction between cis-[PtCl2(DMSO)2], silver malonate or silver
Marzena Fandzloch et al.
Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry, 25(1), 109-124 (2019-11-20)
Six novel ruthenium(III) complexes of general formula [RuCl3(L)3] (1,3,5) and [RuCl3(H2O)(L)2] (2,4,6), where L stands for three different triazolopyrimidine-derived ligands, are reported. The compounds have been structurally characterized (IR, EPR, SCXRD), and their magnetic moments have been determined. The single-crystal
Marzena Fandzloch et al.
Journal of inorganic biochemistry, 210, 111072-111072 (2020-06-21)
Five novel rhodium(II) complexes of general formula [Rh2(μ-OOCCH3)4L2], where L is a triazolopyrimidine derivative, in particular dimethyl-1,2,4-triazolo[1,5-a]pyrimidine (dmtp) for (1), 5,7-diethyl-1,2,4-triazolo[1,5-a]pyrimidine (detp) for (2), 7-isobutyl-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine (ibmtp) for (3), 7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine (HmtpO) for (4) and 5,7-ditertbutyl-1,2,4-triazolo[1,5-a]pyrimidine (dbtp) for (5) are reported. These

Articles

Knoevenagel Condensation Reaction

Knoevenagel Condensation is an organic reaction named after Emil Knoevenagel. It is a classic C-C bond formation reaction and a modification of the Aldol Condensation.

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