Methyl 3,5-dioxohexanoate

Product Name: Methyl 3,5-dioxohexanoate
CAS No.: 29736-80-9
Chemical Name: Methyl 3,5-dioxohexanoate
Synonyms: 3,5-dioxohexanoate;Methyl 3,5-dioxohexanoate;3,5-Dioxohexanoic acid methyl ester;Benzenamine,6-hydrazinyl-N,N-dimethyl-;Hexanoic acid, 3,5-dioxo-, methyl ester
CBNumber: CB42359856
Molecular Formula: C7H10O4
Formula Weight: 158.15
MOL File: 29736-80-9.mol

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Methyl 3,5-dioxohexanoate Property

Boiling point:: 222℃
Density: 1.115
Flash point:: 90℃
storage temp.: 2-8°C
pka: 7.72±0.10(Predicted)
Appearance: Colorless to light yellow Liquid

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

AK Scientific

Product number: 3050AB
Product name: Methyl3,5-dioxohexanoate
Packaging: 100mg
Price: $157
Updated: 2021/12/16

AK Scientific

Product number: 3050AB
Product name: Methyl3,5-dioxohexanoate
Packaging: 1g
Price: $475
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CHM0393010
Product name: METHYL-3,5-DIOXOHEXANOATE
Purity: 95.00%
Packaging: 5MG
Price: $500.82
Updated: 2021/12/16

Crysdot

Product number: CD13016138
Product name: Methyl3,5-dioxohexanoate
Purity: 95+%
Packaging: 100mg
Price: $78
Updated: 2021/12/16

Ambeed

Product number: A112055
Product name: Methyl3,5-dioxohexanoate
Purity: 95%
Packaging: 100mg
Price: $82
Updated: 2021/12/16

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Methyl 3,5-dioxohexanoate Chemical Properties,Usage,Production

Synthesis

79-22-1

123-54-6

29736-80-9

GENERAL STEPS: The general procedure for the synthesis of methyl 3,5-diketohexanoate from methyl chloroformate and acetylacetone is as follows: Step A. 3-Acylation of 2,4-pentanedione Acetylacetone (1.00 g, 10 mmol) was added to a suspension of magnesium chloride (1.35 g, 1.2 eq.) in 20 mL of dichloromethane followed by pyridine (2.13 mL, 2.5 eq.). The mixture was stirred at 0 °C for 1 hour, then alkyl chloroformate or phenyl isocyanate (1.0 eq.) was slowly added dropwise at 0 °C. The reaction mixture was gradually warmed to room temperature over 8 hours, after which it was poured into aqueous 3N HCl (10 mL) and extracted with dichloromethane (20 mL). The organic layer was washed with brine (20 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent. Depending on the physical state of the product, distillation or recrystallization was chosen to purify it from the appropriate solvent. Product Characterization: 1. 3-(Methoxycarbonyl)acetylacetone: colorless liquid, yield 68.1%. Distillation conditions: 45°C, 0.5 mmHg. ESI (-ve) MS m/z 157.1 [M-H]-. 1H NMR (DMSO-d6, 300MHz): δ 2.999 (s, 6H), 3.730 (s, 3H), 17.760 (s, 1H). 2. 3-(Ethoxycarbonyl)acetylacetone: colorless liquid, yield 60.5%. Distillation conditions: 60°C, 1.4 mmHg. ESI (-ve) MS m/z 171.2 [M-H]-. 1H NMR (DMSO-d6, 300MHz): δ 1.253 (t, 3H), 2.303 (s, 6H), 4.164-4.236 (m, 2H), 17.747 (s, 1H). 3. 3-(phenylaminocarbonyl)acetylacetone: white solid, yield 72.0%, melting point 118-119°C. ESI (-ve) MS m/z 218.1 [M-H]-. 1H NMR (DMSO-d6, 300MHz): δ 2.154 (s, 6H), 7.084 (t, 1H), 7.324 (t, 2H), 7.640 (d, J = 8.1Hz, 2H), 10.355 (s, 1H), 16.463 (s, 1H).

References

[1] Patent: WO2013/59203, 2013, A1. Location in patent: Page/Page column 49; 50

Methyl 3,5-dioxohexanoate Preparation Products And Raw materials

Raw materials

Preparation Products

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29736-80-9, Methyl 3,5-dioxohexanoateRelated Search:

3,5-Dioxohexanoic acid methyl ester

Methyl 3,5-dioxohexanoate

Hexanoic acid, 3,5-dioxo-, methyl ester

Benzenamine,6-hydrazinyl-N,N-dimethyl-

3,5-dioxohexanoate

29736-80-9