Lot numbers can be found on the outside label of a product:
1-Methyl-1H-indole-6-carbaldehyde
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CAS No. 21005-45-8
- Cat. No. CS-W010883
- Purity≥98%
- MDL No.MFCD08690251
*For research and further manufacturing use only, not for direct human use.
Structure of 21005-45-8
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General Information
- CAS No. 21005-45-8
- Cat. No. CS-W010883
- Purity ≥98%
- MDL No. MFCD08690251
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉NO
- Molecular Weight 159.19
- Synonym(s) 6-Formyl-1-methylindole
- SMILES O=CC1=CC2=C(C=C1)C=CN2C
Description
1-Methyl-1H-indole-6-carbaldehyde features a methyl-substituted indole core paired with an aldehyde group at the C6 position, enabling direct incorporation into diverse synthetic scaffolds. This electron-rich heterocycle delivers enhanced solubility and reactivity in transition-metal-catalyzed coupling reactions, particularly under mild conditions. The pendant aldehyde serves as a key handle for derivatization via reductive amination or Wittig-type transformations. Bench-stable and moisture-tolerant, it streamlines access to functionalized indole-based libraries for medicinal chemistry applications.
Application
1-Methyl-1H-indole-6-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the indole C6 position. Its aldehyde functionality facilitates efficient imine formation, reductive amination, and Staudinger ligation, while the methyl group enhances metabolic stability. The compound exhibits excellent bench stability and compatibility with common protecting groups, facilitating straightforward purification and integration into multi-step syntheses of heterocyclic scaffolds and API candidates.
Synthesis
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Route1
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In-stock
1196-70-9 -
74-88-4 - ~78%
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In-stock
21005-45-8
References
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Wang, Guangcheng; Li, Chunyan; He, Lin; Lei, Kai; Wang, Fang; Pu, Yuzi; Yang, Zhuang; Cao, Dong; Ma, Liang; Chen, Jinying; Sang, Yun; Liang, Xiaolin; Xiang, Mingli; Peng, Aihua; Wei, Yuquan; Chen, Lijuan Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 7 p. 2060 - 2079
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Route2
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In-stock
1075-26-9 - ~24%
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In-stock
21005-45-8
References
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AFFINIUM PHARMACEUTICALS, INC. Patent: WO2007/53131 A2, 2007 ; Location in patent: Page/Page column 157 ; WO 2007/053131 A2
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Route3
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In-stock
20996-87-6 - ~%
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In-stock
21005-45-8
References
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US5891901 A1, ;
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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 : H319-H412
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Precautionary Statements : P264-P273-P280-P501
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Quality Control
Computational Chemistry Data
- TPSA 22
- LogP 1.9908
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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