(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol

Name: (4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol
Brand: ChemScene
Availability: InStock
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CAS No. 1044145-59-6
Cat. No. CS-0052982
Purity≥95%
MDL No.None

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(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol|CS-0052982

Structure of 1044145-59-6

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General Information

CAS No. 1044145-59-6
Cat. No. CS-0052982
Purity ≥95%
MDL No. None
Storage -20°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇ClN₂OS
Molecular Weight 190.65
Synonym(s) (4-Chloro-2-methylsulfanyl-pyrimidin-5-yl)methanol
SMILES OCC1=CN=C(SC)N=C1Cl

Description

This bench-stable, moisture-tolerant pyrimidine derivative features a chlorinated heterocycle paired with a methylthio group and a terminal hydroxymethyl functionality. The para-chloro substitution enhances electrophilic reactivity, while the methanol handle enables straightforward derivatization in late-stage functionalization.

Application

(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds. The pendant alcohol facilitates derivatization via esterification, etherification, or coupling reactions, while the chloro and methylthio groups offer orthogonal reactivity for nucleophilic substitution and transition-metal-catalyzed cross-coupling. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for modular synthesis of bioactive compounds.

Synthesis

Route1
- 5909-24-0
- ~82%
- In-stock
  
  1044145-59-6
References
- EP2112150 A1, ; Page/Page column 26-28 ;

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 46.01
LogP 1.3442
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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(4-Chloro-2-(methylthio)pyrimidin-5-yl)methanol

CAS No. 1044145-59-6

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