Lot numbers can be found on the outside label of a product:
Indole-2-carbonitrile
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CAS No. 36193-65-4
- Cat. No. CS-0030505
- Purity≥97%
- MDL No.MFCD00187566
*For research and further manufacturing use only, not for direct human use.
Structure of 36193-65-4
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General Information
- CAS No. 36193-65-4
- Cat. No. CS-0030505
- Purity ≥97%
- MDL No. MFCD00187566
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆N₂
- Molecular Weight 142.16
- Synonym(s) 1H-indole-2-carbonitrile
- SMILES N#CC(N1)=CC2=C1C=CC=C2
Description
Indole-2-carbonitrile delivers a robust nitrile handle at the 2-position of the indole core, enabling direct incorporation into diverse synthetic scaffolds. This bench-stable derivative features a polar, electron-deficient functionality that facilitates nucleophilic additions and transition-metal-catalyzed couplings. The constrained aromatic system enhances regioselectivity in downstream transformations.
Application
Indole-2-carbonitrile serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling direct functionalization at the C3 position via electrophilic substitution or transition-metal-catalyzed coupling. Its nitrile group offers high stability under standard reaction conditions and facilitates downstream transformations such as amidation, hydrolysis, or cyclization into heterocyclic scaffolds. The molecule exhibits excellent bench stability and is compatible with a broad range of functional groups, making it ideal for modular synthesis of indole-based drug candidates and advanced intermediates.
Synthesis
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Route1
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In-stock
1670-84-4 - ~92%
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In-stock
36193-65-4
References
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SmithKline Beecham Corporation Patent: US5977101 A1, 1999 ;
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Route2
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116325-35-0 - ~86%
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In-stock
36193-65-4
References
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Lin, Chih-Da; Fang, Jim-Min Journal of the Chinese Chemical Society (Taipei, Taiwan), 1993 , vol. 40, # 6 p. 571 - 580
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Route3
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1394402-09-5
- ~96%
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In-stock
36193-65-4
References
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Kou, Xuezhen; Zhao, Mengdi; Qiao, Xixue; Zhu, Yamin; Tong, Xiaofeng; Shen, Zengming Chemistry - A European Journal, 2013 , vol. 19, # 50 p. 16880 - 16886
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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 39.58
- LogP 2.03958
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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