Lot numbers can be found on the outside label of a product:
Butyl 4-methylbenzenesulfonate
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CAS No. 778-28-9
- Cat. No. CS-0152078
- Purity≥98%
- MDL No.MFCD00027203
*For research and further manufacturing use only, not for direct human use.
Structure of 778-28-9
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General Information
- CAS No. 778-28-9
- Cat. No. CS-0152078
- Purity ≥98%
- MDL No. MFCD00027203
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₆O₃S
- Molecular Weight 228.31
- Synonym(s) p-Toluenesulfonic Acid Butyl Ester
- SMILES CCCCOS(=O)(=O)C1=CC=C(C)C=C1
Description
Butyl 4-methylbenzenesulfonate is a bench-stable, moisture-tolerant sulfonate ester featuring a hydrophobic butyl chain and an electron-rich para-methylphenyl group. This combination enhances solubility in organic media while maintaining reactivity for nucleophilic substitution processes. The robust sulfonate moiety facilitates clean displacement reactions under mild conditions, enabling efficient functionalization in synthetic workflows.
Application
Butyl 4-methylbenzenesulfonate serves as a stable, bench-ready sulfonate ester that facilitates efficient SN2 displacement reactions. Its excellent functional group tolerance and ease of purification make it a reliable reagent for introducing butyl groups in synthetic sequences. Widely used in organic synthesis, it functions effectively in alkylation protocols and as a building block for complex molecular architectures.
Synthesis
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Route1
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98-59-9 -
71-36-3
- ~90%
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In-stock
778-28-9
References
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Tamaddon, Fatemeh; Nasiri, Alireza; Farokhi, Somayeh Catalysis Communications, 2011 , vol. 12, # 15 p. 1477 - 1482
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Route2
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In-stock
4124-41-8 -
71-36-3
- ~90%
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In-stock
778-28-9
References
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Comagic, Slobodan; Schirrmacher, Ralf Synthesis, 2004 , # 6 p. 885 - 888
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Route3
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110798-26-0
- ~%
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In-stock
778-28-9
References
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Journal of the American Chemical Society, , vol. 109, # 22 p. 6892 - 6893
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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 43.37
- LogP 2.50042
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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