Lot numbers can be found on the outside label of a product:
Indobufen impurity 4
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CAS No. 334952-09-9
- Cat. No. CS-0011494
- Purity≥97%
- MDL No.MFCD01415801
*For research and further manufacturing use only, not for direct human use.
Structure of 334952-09-9
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General Information
- CAS No. 334952-09-9
- Cat. No. CS-0011494
- Purity ≥97%
- MDL No. MFCD01415801
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₃
- Molecular Weight 177.16
- Synonym(s) None
- SMILES O=C(C1=CC2=C(C=C1)CC(N2)=O)O
Description
2-Oxoindoline-6-carboxylic acid features a fused indoline core with a ketone at the 2-position and a carboxylic acid at the 6-position, providing a rigid, electron-deficient scaffold. This structural motif enables direct incorporation into bioactive molecules, particularly in kinase inhibitor design and medicinal chemistry campaigns requiring polar, planar heterocyclic units. The molecule exhibits bench-stable handling characteristics and compatibility with standard peptide coupling protocols.
Application
2-Oxoindoline-6-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of indoline-based heterocycles prevalent in kinase inhibitors and CNS-targeted therapeutics. Its orthogonally protected amine and carboxylic acid functionalities facilitate efficient peptide coupling, cyclization, and derivatization under standard synthetic conditions. Bench-stable and amenable to purification via recrystallization or chromatography, it functions reliably in multi-step syntheses requiring functional group tolerance and predictable reactivity.
Synthesis
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Route1
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444667-11-2 - ~%
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In-stock
334952-09-9
References
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Gazzetta Chimica Italiana, , vol. 22 II, p. 392 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 46, p. 564
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Route2
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954239-49-7 - ~%
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In-stock
334952-09-9
References
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EP2130829 A1, ; Page/Page column 22 ;
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Route3
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In-stock
14192-26-8 - ~%
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In-stock
334952-09-9
References
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WO2006/64044 A1, ; Page/Page column 21-22 ;
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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 66.4
- LogP 0.8794
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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