(4-Methyl-4H-1,2,4-triazol-3-yl)methanol

Name: (4-Methyl-4H-1,2,4-triazol-3-yl)methanol
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CAS No. 59660-30-9
Cat. No. CS-0097709
Molecule weight113.12
Purity≥95%
MDL No.MFCD13190102

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Type	HazMat Fee
Excepted Quantity	$0.00
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(4-Methyl-4H-1,2,4-triazol-3-yl)methanol|CS-0097709

Structure of 59660-30-9

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General Information

CAS No. 59660-30-9
Cat. No. CS-0097709
Purity ≥95%
MDL No. MFCD13190102
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₇N₃O
Molecular Weight 113.12
Synonym(s) None
SMILES OCC1=NN=CN1C

Description

This bench-stable triazolylmethanol features a methyl-substituted triazole ring that enhances electron density and solubility in polar solvents. The primary alcohol functionality enables direct coupling or derivatization in synthetic workflows. It serves as a versatile scaffold for bioactive molecule construction and functional material development.

Application

(4-Methyl-4H-1,2,4-triazol-3-yl)methanol serves as a versatile building block for the synthesis of triazolyl-containing heterocycles and bioactive molecules. Its hydroxymethyl functionality enables straightforward derivatization via etherification, esterification, or oxidation to aldehyde, facilitating downstream conjugation and scaffold elaboration. The molecule exhibits good bench stability and functional group tolerance, making it suitable for use in iterative synthetic sequences and medicinal chemistry campaigns.

Synthesis

Route1
- 65029-36-9
- ~%
- In-stock
  
  59660-30-9
References
- Seto, Masaki; Miyamoto, Naoki; Aikawa, Katsuji; Aramaki, Yoshio; Kanzaki, Naoyuki; Iizawa, Yuji; Baba, Masanori; Shiraishi, Mitsuru Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 2 p. 363 - 386

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 50.94
LogP -0.6926
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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(4-Methyl-4H-1,2,4-triazol-3-yl)methanol

CAS No. 59660-30-9

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