Lot numbers can be found on the outside label of a product:
3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole
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CAS No. 882562-40-5
- Cat. No. CS-D1256
- Purity≥98%
- MDL No.MFCD17392847
*For research and further manufacturing use only, not for direct human use.
Structure of 882562-40-5
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General Information
- CAS No. 882562-40-5
- Cat. No. CS-D1256
- Purity ≥98%
- MDL No. MFCD17392847
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₈H₁₁Cl₂N₃O₂S
- Molecular Weight 404.27
- Synonym(s) 1-(benzenesulfonyl)-3-(2,5-dichloropyriMidin-4-yl)-1H-indole
- SMILES ClC1=CN=C(Cl)N=C1C2=CN(S(=O)(C3=CC=CC=C3)=O)C4=C2C=CC=C4
Description
This indole derivative features a 2,5-dichloropyrimidine handle paired with a phenylsulfonyl group, enabling efficient coupling in cross-coupling reactions. The electron-deficient pyrimidine ring enhances reactivity, while the sulfonyl moiety improves solubility and stability under standard conditions.
Application
3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via cross-coupling and nucleophilic substitution reactions. The dichloropyrimidine moiety provides high reactivity for Pd-catalyzed transformations, while the phenylsulfonyl group enhances solubility and stability. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for iterative synthesis campaigns in API development.
Synthesis
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References
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CELLTECH R and D LIMITED Patent: WO2006/38001 A1, 2006 ; Location in patent: Page/Page column 40 ; WO 2006/038001 A1
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Route2
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In-stock
937366-57-9 -
98-09-9 - ~47%
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In-stock
882562-40-5
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED; BUTTERWORTH, Sam; FINLAY, Maurice, Raymond, Verschoyle; WARD, Richard, Andrew; KADAMBAR, Vasantha, Krishna; CHANDRASHEKAR, Reddy, C.; MURUGAN, Andiappan; REDFEARN, Heather, Marie Patent: WO2013/14448 A1, 2013 ; Location in patent: Page/Page column 88; 89 ; WO 2013/014448 A1
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References
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Ward, Richard A.; Anderton, Mark J.; Ashton, Susan; Bethel, Paul A.; Box, Matthew; Butterworth, Sam; Colclough, Nicola; Chorley, Christopher G.; Chuaqui, Claudio; Cross, Darren A.E.; Dakin, Les A.; Debreczeni, Judit E.; Eberlein, Cath; Finlay, M. Raymond V.; Hill, George B.; Grist, Matthew; Klinowska, Teresa C.M.; Lane, Clare; Martin, Scott; Orme, Jonathon P.; Smith, Peter; Wang, Fengjiang; Waring, Michael J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 17 p. 7025 - 7048
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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 64.85
- LogP 4.6421
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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