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

Name: tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
Brand: ChemScene
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CAS No. 1196156-15-6
Cat. No. CS-0048424
Purity≥97%
MDL No.MFCD13189593

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate|CS-0048424

Structure of 1196156-15-6

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General Information

CAS No. 1196156-15-6
Cat. No. CS-0048424
Purity ≥97%
MDL No. MFCD13189593
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆ClN₃O₂
Molecular Weight None
Synonym(s) tert-Butyl 2-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
SMILES CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(Cl)N=C2

Description

tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate is a bench-stable heterocyclic building block featuring a chlorine-substituted pyridopyrimidine core. This compound integrates readily into synthetic sequences requiring electron-deficient aromatic systems, enabling efficient coupling and functionalization under standard conditions.

Application

tert-Butyl 2-chloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate serves as a versatile building block for the synthesis of fused pyridopyrimidine scaffolds. The chloro group at the 2-position enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester supports selective deprotection under mild acidic conditions. Its stability and functional group tolerance facilitate efficient access to biologically relevant heterocycles in medicinal chemistry workflows.

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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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 Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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

CAS No. 1196156-15-6

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