Lot numbers can be found on the outside label of a product:
1-(Benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine
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CAS No. 1245649-52-8
- Cat. No. CS-0052839
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
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Structure of 1245649-52-8
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General Information
- CAS No. 1245649-52-8
- Cat. No. CS-0052839
- Purity ≥97%
- MDL No. None
- Storage 4°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₈ClN₃O₄S
- Molecular Weight 337.74
- Synonym(s) 4-Chloro-5-nitro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine
- SMILES [O-][N+](=O)C1=CN=C2N(C=CC2=C1Cl)S(=O)(=O)C1=CC=CC=C1
Description
This pyrrolo[2,3-b]pyridine scaffold integrates a benzenesulfonyl group and dual electron-withdrawing substituents—chloro and nitro—at strategic positions, enabling high reactivity in cross-coupling and electrophilic substitution processes. The fused heterocyclic core offers enhanced stability under standard conditions, while the sulfonyl moiety improves solubility and facilitates downstream functionalization.
Application
1-(Benzenesulfonyl)-4-chloro-5-nitro-1H-pyrrolo[2,3-b]pyridine serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined reactive sites. The benzenesulfonyl group enhances solubility and stability, while the chloro and nitro functionalities support sequential functionalization. Its bench-stable nature and compatibility with standard synthetic protocols make it suitable for medicinal chemistry campaigns requiring precise scaffold elaboration.
Synthesis
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Route1
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98-09-9 - ~%
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In-stock
1245649-52-8
References
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ADVINUS THERAPEUTICS LIMITED; BARAWKAR, Dinesh; BENDE, Tanushree; ZAHLER, Robert; BANDYOPADHYAY, Anish; SARANGTHEM, Robindro Singh; DOSHI, Jignesh; WAMAN, Yogesh; JADHAV, Rushikesh; SINGH, Umesh Prasad Patent: WO2012/127506 A1, 2012 ; WO 2012/127506 A1
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Route2
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In-stock
744209-63-0 - ~93%
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In-stock
1245649-52-8
References
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ADVINUS THERAPEUTICS LIMITED; BARAWKAR, Dinesh; BENDE, Tanushree; ZAHLER, Robert; BANDYOPADHYAY, Anish; SARANGTHEM, Robindro Singh; DOSHI, Jignesh; WAMAN, Yogesh; JADHAV, Rushikesh; SINGH, Umesh Prasad Patent: WO2012/127506 A1, 2012 ; Location in patent: Page/Page column 60 ; WO 2012/127506 A1
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Route3
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In-stock
55052-28-3 - ~%
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In-stock
1245649-52-8
References
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ADVINUS THERAPEUTICS LIMITED; BARAWKAR, Dinesh; BENDE, Tanushree; ZAHLER, Robert; BANDYOPADHYAY, Anish; SARANGTHEM, Robindro Singh; DOSHI, Jignesh; WAMAN, Yogesh; JADHAV, Rushikesh; SINGH, Umesh Prasad Patent: WO2012/127506 A1, 2012 ; WO 2012/127506 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 : 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 95.1
- LogP 2.8349
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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