Lot numbers can be found on the outside label of a product:
Methyl 1H-indole-7-carboxylate
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CAS No. 93247-78-0
- Cat. No. CS-W002517
- Purity≥97%
- MDL No.MFCD00211064
*For research and further manufacturing use only, not for direct human use.
Structure of 93247-78-0
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General Information
- CAS No. 93247-78-0
- Cat. No. CS-W002517
- Purity ≥97%
- MDL No. MFCD00211064
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉NO₂
- Molecular Weight 175.18
- Synonym(s) Methyl indole-7-carboxylate
- SMILES COC(=O)c1cccc2c1[nH]cc2
Description
Methyl 1H-indole-7-carboxylate features a strategically positioned ester group at the C7 position of the indole scaffold, enabling selective functionalization in synthetic routes. This bench-stable derivative offers enhanced solubility and reactivity compared to the parent carboxylic acid, facilitating its use in transition-metal-catalyzed couplings and bioconjugation strategies.
Application
Methyl 1H-indole-7-carboxylate serves as a versatile building block for indole-based heterocycles, enabling direct functionalization at the C7 position. Its ester group facilitates subsequent transformations including hydrolysis, reduction, and cross-coupling reactions. The molecule exhibits good bench stability and is compatible with a range of standard synthetic conditions, making it well-suited for medicinal chemistry campaigns and API intermediate development.
Synthesis
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Route1
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126759-37-3 - ~73%
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In-stock
93247-78-0
References
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Soederberg, Bjoern C.; Shriver, James A. Journal of Organic Chemistry, 1997 , vol. 62, # 17 p. 5838 - 5845
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Route2
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68109-89-7 - ~62%
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In-stock
93247-78-0
References
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Clark, Robin D.; Repke, David B. Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 121 - 125
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Route3
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67-56-1
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In-stock
51417-51-7 -
201230-82-2
- ~78%
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In-stock
93247-78-0
References
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Smith III, Amos B.; Kuerti, Laszlo; Davulcu, Akin H. Organic Letters, 2006 , vol. 8, # 10 p. 2167 - 2170
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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 42.09
- LogP 1.9545
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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