Lot numbers can be found on the outside label of a product:
N-Methylscatole
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CAS No. 875-30-9
- Cat. No. CS-0147139
- Purity≥95%
- MDL No.MFCD00030239
*For research and further manufacturing use only, not for direct human use.
Structure of 875-30-9
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General Information
- CAS No. 875-30-9
- Cat. No. CS-0147139
- Purity ≥95%
- MDL No. MFCD00030239
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁N
- Molecular Weight 145.20
- Synonym(s) None
- SMILES CN1C=C(C)C2=C1C=CC=C2
Description
1,3-Dimethyl-1H-indole is a bench-stable, electron-rich heterocycle featuring two methyl groups at the 1- and 3-positions of the indole core. This substitution pattern enhances solubility and stabilizes the aromatic system, enabling efficient integration into bioactive scaffolds. The compound serves as a key building block in medicinal chemistry and materials science, offering predictable reactivity in C–H functionalization and cross-coupling processes.
Application
1,3-Dimethyl-1H-indole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, offering enhanced solubility and metabolic stability compared to unsubstituted indole. Its methyl groups at the 1- and 3-positions provide defined regiochemical control in electrophilic substitution and facilitate downstream functionalization via C–H activation or cross-coupling. The compound exhibits good bench stability and is compatible with standard purification methods, enabling efficient integration into multi-step synthetic sequences for API development.
Synthesis
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Route1
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In-stock
83-34-1 -
74-88-4 - ~97%
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In-stock
875-30-9
References
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Bedford, Robin B.; Fey, Natalie; Haddow, Mairi F.; Sankey, Rosalind F. Chemical Communications, 2011 , vol. 47, # 12 p. 3649 - 3651
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Route2
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74-88-4
- ~57%
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In-stock
875-30-9
References
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AFFINIUM PHARMACEUTICALS, INC. Patent: WO2007/67416 A2, 2007 ; Location in patent: Page/Page column 156; 157 ; WO 2007/067416 A2
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Route3
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57056-87-8
- ~81%
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In-stock
875-30-9
References
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Larock, Richard C.; Babu, Srinivasan Tetrahedron Letters, 1987 , vol. 28, # 44 p. 5291 - 5294
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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-H319
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Precautionary Statements : P264-P270-P280
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Quality Control
Computational Chemistry Data
- TPSA 4.93
- LogP 2.48672
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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