Lot numbers can be found on the outside label of a product:
2-Chloro-4-methoxypyrimidin-5-amine
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CAS No. 96833-41-9
- Cat. No. CS-0040048
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 96833-41-9
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General Information
- CAS No. 96833-41-9
- Cat. No. CS-0040048
- Purity ≥96%
- MDL No. None
- Storage 4°C, protect from light, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₆ClN₃O
- Molecular Weight 159.57
- Synonym(s) None
- SMILES NC1=CN=C(Cl)N=C1OC
Description
2-Chloro-4-methoxypyrimidin-5-amine features a pyrimidine core with complementary electron-withdrawing and donor substituents, enabling selective coupling reactions in medicinal chemistry. The chloro group facilitates nucleophilic substitution, while the methoxy and amine functionalities offer orthogonal reactivity for modular derivatization. This scaffold delivers high functional group tolerance and stability under standard conditions.
Application
2-Chloro-4-methoxypyrimidin-5-amine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its chloro group facilitates nucleophilic substitution reactions, while the amine and methoxy functionalities provide orthogonal handles for further derivatization. The compound exhibits good bench stability and compatibility with standard coupling protocols, making it well-suited for modular synthesis of bioactive heterocycles and API intermediates.
Synthesis
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Route1
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In-stock
5177-27-5 -
124-41-4 - ~89%
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In-stock
96833-41-9
References
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CANCER RESEARCH TECHNOLOGY LIMITED; Bavetsias, Vassilios; Atrash, Butrus; Naud, Sébastien Gaston André; Sheldrake, Peter William; Blagg, Julian Patent: US2013/345181 A1, 2013 ; Location in patent: Paragraph 0785 ;
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Route2
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67-56-1
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In-stock
5177-27-5
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124-41-4
- ~88%
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In-stock
96833-41-9
References
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CANCER RESEARCH TECHNOLOGY LIMITED; BAVETSIAS, Vassilios; ATRASH, Butrus; NAUD, Sebastien Gaston Andre; SHELDRAKE, Peter William; BLAGG, Julian Patent: WO2012/123745 A1, 2012 ; Location in patent: Page/Page column 117 ; WO 2012/123745 A1
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Route3
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In-stock
5177-27-5
- ~%
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In-stock
96833-41-9
References
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Zeneca Limited Patent: US5861401 A1, 1999 ;
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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 61.03
- LogP 0.7208
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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