Lot numbers can be found on the outside label of a product:
6-Chloro-4,5-diaminopyrimidine
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CAS No. 4316-98-7
- Cat. No. CS-W002134
- Purity≥98%
- MDL No.MFCD00023270
*For research and further manufacturing use only, not for direct human use.
Structure of 4316-98-7
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General Information
- CAS No. 4316-98-7
- Cat. No. CS-W002134
- Purity ≥98%
- MDL No. MFCD00023270
- Storage -20°C, sealed storage, away from moisture and light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₅ClN₄
- Molecular Weight 144.56
- Synonym(s) Pyrimidine, 4,5-diamino-6-chloro-
- SMILES Nc1c(N)ncnc1Cl
Description
6-Chloro-4,5-diaminopyrimidine is a heterocyclic scaffold featuring two amino groups flanking a chlorine atom at the 6-position. This configuration enables direct functionalization in synthetic sequences, particularly useful for constructing nucleoside analogs and kinase inhibitors. The compound exhibits robust stability under standard conditions and integrates efficiently into multi-step synthetic pathways.
Application
6-Chloro-4,5-diaminopyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of purine-based scaffolds and kinase inhibitor candidates. Its two adjacent amino groups facilitate sequential functionalization, while the chloro substituent offers a reliable handle for palladium-catalyzed cross-coupling reactions. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for high-throughput synthesis and process development workflows.
Synthesis
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Route1
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In-stock
5413-85-4 - ~99%
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In-stock
4316-98-7
References
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ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH:ROYAL CANCER HOSPITAL; CANCER RESEARCH TECHNOLOGY LIMITED; ASTRAZENECA AB Patent: WO2007/125325 A1, 2007 ; Location in patent: Page/Page column 92-93 ; WO 2007/125325 A1
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Route2
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In-stock
4316-94-3 - ~65%
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In-stock
4316-98-7
References
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Baraldi, Pier Giovanni; Broceta, Asier Unciti; Infantas, Maria Jose Pineda De Las; Mochun, Juan Jose Diaz; Espinosa, Antonio; Romagnoli, Romeo Tetrahedron, 2002 , vol. 58, # 38 p. 7607 - 7611
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Route3
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In-stock
1672-50-0 - ~14%
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In-stock
4316-98-7
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/13141 A1, 2004 ; Location in patent: Page 134 ; WO 2004/013141 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 77.82
- LogP 0.2944
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 0
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