Lot numbers can be found on the outside label of a product:
Diethyl 2-isopropylmalonate
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CAS No. 759-36-4
- Cat. No. CS-W015507
- Purity≥98%
- MDL No.MFCD00040491
*For research and further manufacturing use only, not for direct human use.
Structure of 759-36-4
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General Information
- CAS No. 759-36-4
- Cat. No. CS-W015507
- Purity ≥98%
- MDL No. MFCD00040491
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₈O₄
- Molecular Weight 202.25
- Synonym(s) Isopropylmalonic Acid Diethyl Ester
- SMILES O=C(OCC)C(C(C)C)C(OCC)=O
Description
Diethyl 2-isopropylmalonate serves as a versatile synthon in organic synthesis, featuring a sterically hindered α-carbon that facilitates selective functionalization. The ester groups enable facile manipulation under standard conditions, while the isopropyl substituent imparts enhanced stability and solubility in common organic solvents. This compound integrates efficiently into multi-step sequences for complex molecule assembly.
Application
Diethyl 2-isopropylmalonate serves as a versatile synthon in carbon-carbon bond formation, enabling efficient access to substituted acetic acid derivatives via standard malonate alkylation and decarboxylation protocols. Its bench-stable nature, combined with predictable reactivity and ease of purification, makes it well-suited for iterative synthesis of complex alkylated building blocks in medicinal chemistry and process development workflows.
Synthesis
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Route1
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75-30-9 -
105-53-3
- ~98%
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In-stock
759-36-4
References
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Arumugam, Subramaniam; McLeod, Dale; Verkade, John G. Journal of Organic Chemistry, 1998 , vol. 63, # 11 p. 3677 - 3679
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Route2
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In-stock
6802-75-1 - ~63%
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In-stock
759-36-4
References
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Nag, Ahindra; Sarkar, Ashis; Sarkar, Samir K.; Palit, Sunanda K. Synthetic Communications, 1987 , vol. 17, # 8 p. 1007 - 1014
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Route3
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75-26-3
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105-53-3
- ~99%
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In-stock
759-36-4
References
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Gilead Sciences, Inc.; Korea Research Institute of Chemical Technology Patent: US2009/163712 A1, 2009 ; Location in patent: Page/Page column 13-14 ;
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.6
- LogP 1.3848
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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