2-(4-Isopropyl-1H-1,2,3-triazol-1-yl)acetic acid

Name: 2-(4-Isopropyl-1H-1,2,3-triazol-1-yl)acetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 887405-34-7
Cat. No. CS-0083751
Molecule weight169.18
Purity≥98%
MDL No.MFCD08445772

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2-(4-Isopropyl-1H-1,2,3-triazol-1-yl)acetic acid|CS-0083751

Structure of 887405-34-7

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General Information

CAS No. 887405-34-7
Cat. No. CS-0083751
Purity ≥98%
MDL No. MFCD08445772
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₁N₃O₂
Molecular Weight 169.18
Synonym(s) 2-[4-(propan-2-yl)-1H-1,2,3-triazol-1-yl]acetic acid
SMILES OC(CN1N=NC(C(C)C)=C1)=O

Description

This 2-(4-isopropyl-1H-1,2,3-triazol-1-yl)acetic acid features a bench-stable triazole moiety linked to a carboxylic acid handle, enabling direct conjugation in bioorthogonal labeling. The isopropyl group enhances solubility and steric profile, improving compatibility in aqueous biological environments.

Application

2-(4-Isopropyl-1H-1,2,3-triazol-1-yl)acetic acid serves as a versatile building block for bioconjugation and medicinal chemistry applications. The triazolyl moiety enables robust copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the carboxylic acid facilitates amide coupling or salt formation. Its bench-stable nature and moderate solubility support straightforward purification and integration into peptide and small-molecule synthesis 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 68.01
LogP 0.4861
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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2-(4-Isopropyl-1H-1,2,3-triazol-1-yl)acetic acid

CAS No. 887405-34-7

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