tert-Butyl tetrahydropyrimidine-1(2H)-carboxylate

CAS No. 867065-85-8
Cat. No. CS-W019225
Purity≥95%
MDL No.MFCD08234522

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tert-Butyl tetrahydropyrimidine-1(2H)-carboxylate|CS-W019225

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General Information

CAS No. 867065-85-8
Cat. No. CS-W019225
Purity ≥95%
MDL No. MFCD08234522
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₈N₂O₂
Molecular Weight 186.25
Synonym(s) tert-butyl 1,3-diazinane-1-carboxylate
SMILES O=C(N1CCCNC1)OC(C)(C)C

Description

tert-Butyl tetrahydropyrimidine-1(2H)-carboxylate is a bench-stable, moisture-tolerant building block featuring a protected tetrahydropyrimidine core. This nitrogen-rich scaffold integrates readily into medicinal chemistry campaigns, offering high functional group compatibility and enabling efficient access to bioactive heterocycles under standard conditions.

Application

tert-Butyl tetrahydropyrimidine-1(2H)-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds through mild deprotection and functionalization. The tert-butyl ester group provides excellent bench stability and facilitates purification, while the tetrahydropyrimidine core offers predictable reactivity in nucleophilic substitution and coupling reactions. This compound functions as a key intermediate in the synthesis of heterocyclic APIs and drug candidates requiring controlled nitrogen incorporation.

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-H319-H335
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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Computational Chemistry Data

TPSA 41.57
LogP 1.1743
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl tetrahydropyrimidine-1(2H)-carboxylate

CAS No. 867065-85-8

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