Lot numbers can be found on the outside label of a product:
Isopropyl ethanesulfonate
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CAS No. 14245-62-6
- Cat. No. CS-0044479
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 14245-62-6
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General Information
- CAS No. 14245-62-6
- Cat. No. CS-0044479
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₁₂O₃S
- Molecular Weight 152.21
- Synonym(s) Ethanesulfonic acid isopropyl ester
- SMILES CCS(=O)(OC(C)C)=O
Description
Isopropyl ethanesulfonate is a bench-stable, moisture-tolerant sulfonate ester featuring a branched alkyl chain that enhances solubility in organic media. This reagent integrates readily into synthetic sequences requiring mild activation, enabling efficient sulfonation and coupling reactions under standard conditions.
Application
Isopropyl ethanesulfonate serves as a stable, bench-ready sulfonate ester enabling efficient sulfonation and electrophilic functionalization in synthetic workflows. Its moderate reactivity facilitates clean displacement reactions with nucleophiles, particularly useful in constructing sulfonamide intermediates and heterocyclic scaffolds. The isopropyl group enhances solubility and simplifies purification, making it well-suited for iterative synthesis and scale-up applications.
Synthesis
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Route1
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67-63-0 -
594-44-5
- ~72%
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In-stock
14245-62-6
References
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AJINOMOTO CO., INC. Patent: EP2511271 A1, 2012 ; Location in patent: Page/Page column 25 ;
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Route2
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In-stock
926-06-7 -
74-88-4
- ~%
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In-stock
14245-62-6
References
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Truce,W.E.; Vrencur,D.J. Journal of Organic Chemistry, 1970 , vol. 35, p. 1226 - 1227
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Route3
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683-60-3 -
594-44-5
- ~%
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In-stock
14245-62-6
References
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Yoshikawa,S. et al. Bulletin of the Chemical Society of Japan, 1966 , vol. 39, p. 1937 - 1941
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.7611
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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