Lot numbers can be found on the outside label of a product:
2,2-Dimethyl-1,3-cyclopentanedione
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CAS No. 3883-58-7
- Cat. No. CS-0153883
- Purity≥97%
- MDL No.MFCD00074900
*For research and further manufacturing use only, not for direct human use.
Structure of 3883-58-7
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General Information
- CAS No. 3883-58-7
- Cat. No. CS-0153883
- Purity ≥97%
- MDL No. MFCD00074900
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₀O₂
- Molecular Weight 126.15
- Synonym(s) None
- SMILES CC1(C)C(=O)CCC1=O
Description
2,2-Dimethyl-1,3-cyclopentanedione features a sterically hindered diketone core that enhances stability and resists enolization. This structural rigidity enables reliable use in heterocyclic synthesis and metal coordination chemistry under standard conditions.
Application
2,2-Dimethyl-1,3-cyclopentanedione serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted cyclopentane cores via condensation and cyclization reactions. Its enhanced steric bulk improves regioselectivity in Michael additions and Mannich-type processes, while the diketone functionality offers robust compatibility with standard functional group transformations. Bench-stable and readily purified by recrystallization, it functions reliably in multistep synthetic sequences for medicinal chemistry and natural product synthesis.
Synthesis
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Route1
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In-stock
765-69-5 -
74-88-4 - ~95%
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In-stock
3883-58-7
References
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Allergan, Inc. Patent: US2004/157901 A1, 2004 ; Location in patent: Page 10 ;
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Route2
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In-stock
765-69-5
- ~%
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In-stock
3883-58-7
References
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Allergan, Inc. Patent: US2004/235958 A1, 2004 ; Title/Abstract Full Text Show Details ALLERGAN, INC. Patent: US2005/164992 A1, 2005 ;
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Route3
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695-30-7
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In-stock
17082-61-0 - ~74%
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In-stock
3883-58-7
References
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Kreiser, Wolfgang; Wiggermann, Annette; Krief, Alain; Swinnen, Dominique Tetrahedron Letters, 1996 , vol. 37, # 39 p. 7119 - 7122
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 34.14
- LogP 0.9446
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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