Lot numbers can be found on the outside label of a product:
5-Bromo-4-chlorothieno[2,3-d]pyrimidine
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CAS No. 814918-95-1
- Cat. No. CS-0006619
- Purity≥97%
- MDL No.MFCD11042739
*For research and further manufacturing use only, not for direct human use.
![5-Bromo-4-chlorothieno[2,3-d]pyrimidine|CS-0006619](https://file.chemscene.com/productPIC/CS-0006619.gif)
Structure of 814918-95-1
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General Information
- CAS No. 814918-95-1
- Cat. No. CS-0006619
- Purity ≥97%
- MDL No. MFCD11042739
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₂BrClN₂S
- Molecular Weight 249.52
- Synonym(s) 5-bromo-4-chloro-thieno[2,3-d]pyrimidine
- SMILES BrC1=CSC2=C1C(Cl)=NC=N2
Description
5-Bromo-4-chlorothieno[2,3-d]pyrimidine features a fused thienopyrimidine core with complementary halogenation at the 5-bromo and 4-chloro positions, enabling selective cross-coupling reactions. This electron-deficient heterocycle integrates readily into pharmaceutical scaffolds and serves as a key intermediate in medicinal chemistry.
Application
5-Bromo-4-chlorothieno[2,3-d]pyrimidine serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of advanced pharmaceutical scaffolds. Its complementary halogenation pattern facilitates palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The molecule exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
![6-Bromo-4-chlorothieno[2,3-d]pyrimidine|CS-W003611](https://file.chemscene.com/productPIC/CS-W003611.gif)
56844-12-3 - ~65%
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In-stock
814918-95-1
References
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THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES; MARUGAN, Juan, J.; ZHENG, Wei; SOUTHALL, Noel; HUANG, Wenwei; MCCOY, Joshua, G.; TITUS, Steven; PATNAIK, Samarjit Patent: WO2012/44993 A1, 2012 ; Location in patent: Page/Page column 44 ;
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Route2
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In-stock
![Thieno[2,3-d]pyrimidin-4(3H)-one|CS-W008324](https://file.chemscene.com/productPIC/CS-W008324.gif)
14080-50-3 - ~%
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In-stock
814918-95-1
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 18 p. 5521 - 5527
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Route3
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In-stock
4651-82-5 - ~%
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In-stock
814918-95-1
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 18 p. 5521 - 5527
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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 25.78
- LogP 3.1072
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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