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Structure of 872091-00-4
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This benzoic acid derivative features a sterically hindered nitrile group at the 3-position, enhancing metabolic stability and enabling direct incorporation into bioactive scaffolds. The para-cyanopropyl substituent imparts electron-withdrawing character, modulating reactivity in coupling reactions and facilitating downstream functionalization in medicinal chemistry applications.
3-(2-Cyanopropan-2-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of functionalized benzene derivatives through standard coupling and transformation protocols. Its nitrile group offers high stability and compatibility with diverse reaction conditions, while the tert-butyl-like steric bulk enhances metabolic resistance in target scaffolds. The carboxylic acid functionality facilitates direct amidation or esterification, supporting rapid diversification in lead optimization campaigns.
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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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Lot numbers can be found on the outside label of a product: