Lot numbers can be found on the outside label of a product:
2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
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CAS No. 335654-08-5
- Cat. No. CS-0045909
- Purity≥96%
- MDL No.MFCD07787393
*For research and further manufacturing use only, not for direct human use.
![2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one|CS-0045909](https://file.chemscene.com/productPIC/CS-0045909.gif)
Structure of 335654-08-5
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General Information
- CAS No. 335654-08-5
- Cat. No. CS-0045909
- Purity ≥96%
- MDL No. MFCD07787393
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄ClN₃O
- Molecular Weight None
- Synonym(s) 2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)
- SMILES ClC1=NC2=C(CC(=O)N2)C=N1
Description
2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one features a fused heterocyclic core with a chlorinated pyrimidinone scaffold, enabling direct incorporation into kinase inhibitor scaffolds. The electron-deficient ring system supports efficient coupling reactions, while the bench-stable nature facilitates handling under standard conditions.
Application
2-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one serves as a versatile building block in heterocyclic synthesis, enabling efficient access to purine and pyrrolopyrimidine scaffolds. Its chloro substituent facilitates nucleophilic substitution reactions, while the lactam functionality provides hydrogen-bonding capability and enhanced solubility. The compound exhibits excellent bench stability and compatibility with standard coupling protocols, making it ideal for medicinal chemistry campaigns and API development.
Synthesis
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Route1
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335654-07-4 - ~78%
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In-stock
335654-08-5
References
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Cheung, Mui; Harris, Philip A.; Lackey, Karen E Tetrahedron Letters, 2001 , vol. 42, # 6 p. 999 - 1001
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Route2
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335654-05-2
- ~%
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In-stock
335654-08-5
References
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Tetrahedron Letters, , vol. 42, # 6 p. 999 - 1001
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Route3
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In-stock
![2-Chloro-7H-pyrrolo[2,3-d]pyrimidine|CS-M3681](https://file.chemscene.com/productPIC/CS-M3681.gif)
335654-06-3 - ~%
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In-stock
335654-08-5
References
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Tetrahedron Letters, , vol. 42, # 6 p. 999 - 1001
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 54.88
- LogP 0.6246
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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