Lot numbers can be found on the outside label of a product:
2-(4-(tert-Butyl)phenoxy)acetic acid
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CAS No. 1798-04-5
- Cat. No. CS-0196874
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1798-04-5
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General Information
- CAS No. 1798-04-5
- Cat. No. CS-0196874
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₆O₃
- Molecular Weight 208.25
- Synonym(s) 4-Tert-butylphenoxyacetic acid
- SMILES CC(C)(C)C1=CC=C(C=C1)OCC(=O)O
Description
This acetic acid derivative features a tert-butyl-substituted phenoxy moiety that enhances lipophilicity and metabolic stability. The electron-donating tert-butyl group modulates reactivity, while the carboxylic acid function enables direct conjugation or salt formation. Ideal for synthesizing bioactive esters, prodrugs, or polymer side chains under standard conditions.
Application
2-(4-(tert-Butyl)phenoxy)acetic acid serves as a versatile building block for bioactive molecule synthesis, enabling efficient introduction of lipophilic phenoxyacetyl motifs. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate straightforward derivatization in medicinal chemistry workflows. The tert-butyl group enhances solubility and metabolic stability, making it valuable for scaffold elaboration in drug discovery programs.
Synthesis
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Route1
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3344-19-2 - ~92%
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In-stock
1798-04-5
References
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Li, Xiong; Gong, Shu-Ling; Yang, Wei-Ping; Chen, Yuan-Yin; Meng, Xiang-Gao Tetrahedron, 2008 , vol. 64, # 27 p. 6230 - 6237
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Route2
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98-54-4
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79-08-3
- ~%
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In-stock
1798-04-5
References
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Journal of Medicinal Chemistry, , vol. 27, # 8 p. 967 - 978
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Route3
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98-54-4
- ~0%
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713-46-2 -
In-stock
1798-04-5
References
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Berger; Frank M. Patent: US4451474 A1, 1984 ;
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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 46.53
- LogP 2.4475
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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