tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

Name: tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
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CAS No. 1092352-55-0
Cat. No. CS-0048423
Molecule weight269.73
Purity≥98%
MDL No.None

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tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate|CS-0048423

Structure of 1092352-55-0

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General Information

CAS No. 1092352-55-0
Cat. No. CS-0048423
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆ClN₃O₂
Molecular Weight 269.73
Synonym(s) tert-Butyl 2-chloro-7,8-dihydropyrido-[4,3-d]pyrimidine-6(5H)-carboxylate
SMILES CC(C)(C)OC(=O)N1CCC2=NC(Cl)=NC=C2C1

Description

tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate features a sterically hindered tert-butyl ester and a chlorine-substituted pyridopyrimidine core. This bench-stable scaffold integrates readily into heterocyclic synthesis, serving as a key intermediate for pharmaceutical development.

Application

tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate serves as a versatile building block for the synthesis of pyrido[4,3-d]pyrimidine-based scaffolds. The chloro group enables nucleophilic substitution reactions, facilitating access to diverse functionalized derivatives. Its tert-butyl ester moiety offers excellent bench stability and simplifies purification. This compound functions effectively in standard coupling protocols and is well-suited for medicinal chemistry campaigns targeting kinase inhibitors and other bioactive heterocycles.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 55.32
LogP 2.4232
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

CAS No. 1092352-55-0

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