2,6-Dimethylheptane-3,5-dione

Name: 2,6-Dimethylheptane-3,5-dione
Brand: ChemScene
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CAS No. 18362-64-6
Cat. No. CS-W017999
Molecule weight156.23
Purity≥98%
MDL No.MFCD00015040

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2,6-Dimethylheptane-3,5-dione|CS-W017999

Structure of 18362-64-6

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General Information

CAS No. 18362-64-6
Cat. No. CS-W017999
Purity ≥98%
MDL No. MFCD00015040
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₆O₂
Molecular Weight 156.23
Synonym(s) Diisobutyrylmethane; 2,6-Dimethylheptane-3,5-dione
SMILES CC(C)C(CC(C(C)C)=O)=O

Description

This diketone features a sterically shielded central core, enabling stable incorporation into complex synthetic sequences. The methyl groups at C2 and C6 reduce enolization tendencies while maintaining reactivity at the 3,5-dione moiety. Ideal for constructing cyclic architectures under mild conditions.

Application

2,6-Dimethylheptane-3,5-dione serves as a versatile β-diketone scaffold for constructing substituted heterocycles and enantioselective catalysis. Its well-defined diketone functionality enables reliable enolization and metal chelation, facilitating use in transition-metal-catalyzed C–C bond formations. Bench-stable and amenable to standard purification methods, it functions effectively in multistep syntheses requiring functional group tolerance and predictable reactivity.

Synthesis

Route1
- 563-80-4
- 97-62-1
- ~%
- In-stock
  
  18362-64-6
References
- Journal of the American Chemical Society, , vol. 65, p. 441,443
Route2
- 97-72-3
- 105-53-3
- ~%
- In-stock
  
  18362-64-6
References
- Arkiv foer Kemi, , vol. 3, p. 365 Acta Chemica Scandinavica (1947-1973), , vol. 5, p. 820,1413

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 1224
Class : 3	Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

TPSA 34.14
LogP 1.8267
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 4

Key Words

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2,6-Dimethylheptane-3,5-dione

CAS No. 18362-64-6

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