tert-Butyl 2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate

Name: tert-Butyl 2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
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CAS No. 1226776-86-8
Cat. No. CS-0146500
Molecule weight281.37
Purity≥98%
MDL No.MFCD16495894

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tert-Butyl 2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate|CS-0146500

Structure of 1226776-86-8

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General Information

CAS No. 1226776-86-8
Cat. No. CS-0146500
Purity ≥98%
MDL No. MFCD16495894
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₉N₃O₂S
Molecular Weight 281.37
Synonym(s) 7-Boc-2-(methylthio)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidine
SMILES O=C(N1CCC2=CN=C(SC)N=C2C1)OC(C)(C)C

Description

tert-Butyl 2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate features a sterically shielded tert-butyl ester and a methylthio-substituted dihydropyridopyrimidine core, enabling direct incorporation into heterocyclic scaffolds. This bench-stable intermediate supports efficient access to advanced pyrimidine-based architectures under standard conditions.

Application

tert-Butyl 2-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate serves as a versatile heterocyclic building block for the synthesis of pyrido[3,4-d]pyrimidine scaffolds. The methylthio group enables selective oxidation to sulfonyl or sulfone derivatives, while the dihydropyridine core supports further functionalization via hydrogenation or cross-coupling. Bench-stable and readily purified by column chromatography, it functions effectively in multistep synthetic sequences requiring moderate functional group tolerance and predictable reactivity.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 55.32
LogP 2.4917
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

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-(methylthio)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate

CAS No. 1226776-86-8

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