Lot numbers can be found on the outside label of a product:
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
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CAS No. 1053656-57-7
- Cat. No. CS-W018892
- Purity≥95%
- MDL No.MFCD11109465
*For research and further manufacturing use only, not for direct human use.
![tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-W018892](https://file.chemscene.com/productPIC/CS-W018892.gif)
Structure of 1053656-57-7
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General Information
- CAS No. 1053656-57-7
- Cat. No. CS-W018892
- Purity ≥95%
- MDL No. MFCD11109465
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₆ClN₃O₂
- Molecular Weight 269.73
- Synonym(s) tert-Butyl 4-chloro-5,6-dihydropyrido-[3,4-d]pyrimidine-7(8H)-carboxylate
- SMILES ClC1=NC=NC2=C1CCN(C2)C(=O)OC(C)(C)C
Description
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate is a bench-stable heterocyclic building block featuring a chlorine-substituted dihydropyridopyrimidine core. This compound integrates readily into synthetic sequences requiring nitrogen-rich scaffolds with defined stereochemical control. The tert-butyl ester group enables selective deprotection under mild acidic conditions, facilitating downstream functionalization in medicinal chemistry and materials development workflows.
Application
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate serves as a versatile scaffold for constructing biologically relevant heterocycles, enabling efficient functionalization at the C4 position via palladium-catalyzed cross-coupling. Its bench-stable tert-butyl ester and latent pyridine core facilitate downstream transformations, including cyclizations and nucleophilic substitutions, making it well-suited for medicinal chemistry campaigns targeting kinase inhibitors and other nitrogen-containing pharmaceuticals.
Synthesis
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Route1
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In-stock
![tert-Butyl 4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(3H)-carboxylate|CS-0083450](https://file.chemscene.com/productPIC/CS-0083450.gif)
1142188-60-0 - ~86%
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In-stock
1053656-57-7
References
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Toure, B. Barry; Miller-Moslin, Karen; Yusuff, Naeem; Perez, Lawrence; Dore, Michael; Joud, Carol; Michael, Walter; Dipietro, Lucian; Van Der Plas, Simon; McEwan, Michael; Lenoir, Francois; Hoe, Madelene; Karki, Rajesh; Springer, Clayton; Sullivan, John; Levine, Kymberly; Fiorilla, Catherine; Xie, Xiaoling; Kulathila, Raviraj; Herlihy, Kara; Porter, Dale; Visser, Michael ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 2 p. 186 - 190
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Route2
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In-stock
39514-19-7 - ~%
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In-stock
1053656-57-7
References
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WO2011/29842 A1, ; WO 2011/029842 A1
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Route3
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In-stock
24424-99-5 - ~%
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In-stock
1053656-57-7
References
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WO2011/29842 A1, ; WO 2011/029842 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 55.32
- LogP 2.4232
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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