2-(6-(((Benzhydryloxy)carbonyl)amino)-9H-purin-9-yl)acetic acid

Name: 2-(6-(((Benzhydryloxy)carbonyl)amino)-9H-purin-9-yl)acetic acid
Brand: ChemScene
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CAS No. 186046-80-0
Cat. No. CS-0149766
Purity≥96%
MDL No.MFCD09261306

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2-(6-(((Benzhydryloxy)carbonyl)amino)-9H-purin-9-yl)acetic acid|CS-0149766

Structure of 186046-80-0

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Description

This purine derivative features a benzhydryloxy carbonyl-amino linkage at the 6-position and a pendant acetic acid group at the 2-position, enabling conjugation or derivatization. The structure combines stability with tunable reactivity, facilitating incorporation into nucleoside analogs and bioconjugates for medicinal chemistry applications.

Application

2-(6-(((Benzhydryloxy)carbonyl)amino)-9H-purin-9-yl)acetic acid serves as a protected nucleoside analog precursor, enabling efficient access to purine-based scaffolds. Its benzhydryloxycarbonyl (Bhc) group offers excellent stability and orthogonal deprotection under mild acidic conditions, facilitating downstream functionalization. The acetic acid moiety provides a handle for conjugation or derivatization, supporting applications in medicinal chemistry and oligonucleotide synthesis.

General Information

CAS No. 186046-80-0
Cat. No. CS-0149766
Purity ≥96%
MDL No. MFCD09261306
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₁₇N₅O₄
Molecular Weight 403.39
Synonym(s) (6-Benzhydryloxycarbonylamino-purin-9-yl)-acetic acid
SMILES O=C(O)CN1C2=NC=NC(NC(OC(C3=CC=CC=C3)C4=CC=CC=C4)=O)=C2N=C1

Computational Chemistry Data

TPSA 119.23
LogP 3.249
H_Acceptors 7
H_Donors 2
Rotatable_Bonds 6

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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Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Purine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(6-(((Benzhydryloxy)carbonyl)amino)-9H-purin-9-yl)acetic acid

CAS No. 186046-80-0

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