Lot numbers can be found on the outside label of a product:
5-(Benzyloxy)-1H-indole-2-carboxylic acid
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CAS No. 6640-09-1
- Cat. No. CS-W012415
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 6640-09-1
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General Information
- CAS No. 6640-09-1
- Cat. No. CS-W012415
- Purity ≥98%
- MDL No. None
- Storage 4°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₃NO₃
- Molecular Weight 267.28
- Synonym(s) 5-BENZYLOXYL-1H-INDOLE-2-CARBOXYLICACID
- SMILES O=C(C(N1)=CC2=C1C=CC(OCC3=CC=CC=C3)=C2)O
Description
5-(Benzyloxy)-1H-indole-2-carboxylic acid integrates a benzyl ether-functionalized indole core with a carboxylic acid handle, enabling direct conjugation in peptide synthesis and medicinal chemistry. This bench-stable scaffold supports modular derivatization for bioactive compound discovery.
Application
5-(Benzyloxy)-1H-indole-2-carboxylic acid serves as a versatile building block for indole-based pharmaceuticals and agrochemicals, offering orthogonal functionality for late-stage diversification. The benzyloxy group provides robust protection of the phenolic hydroxyl, enabling selective transformations under standard conditions. The carboxylic acid moiety facilitates amide coupling, esterification, and metal-catalyzed cross-coupling reactions, making it ideal for scaffold elaboration in medicinal chemistry campaigns.
Synthesis
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Route1
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55581-41-4 - ~10%
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In-stock
6640-09-1
References
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Molecules, , vol. 15, # 11 p. 7971 - 7984
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Route2
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In-stock
37033-95-7 - ~95%
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In-stock
6640-09-1
References
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European Journal of Medicinal Chemistry, , vol. 26, # 1 p. 33 - 41
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Route3
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In-stock
21598-06-1 -
100-39-0 - ~82%
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In-stock
6640-09-1
References
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Tetrahedron Letters, , vol. 48, # 41 p. 7380 - 7382
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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 62.32
- LogP 3.4451
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 4
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Key Words
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