Methyl 3-hydroxy-1H-pyrrole-2-carboxylate

Name: Methyl 3-hydroxy-1H-pyrrole-2-carboxylate
Brand: ChemScene
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CAS No. 79068-31-8
Cat. No. CS-0044020
Purity≥97%
MDL No.MFCD11975599

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Methyl 3-hydroxy-1H-pyrrole-2-carboxylate|CS-0044020

Structure of 79068-31-8

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General Information

CAS No. 79068-31-8
Cat. No. CS-0044020
Purity ≥97%
MDL No. MFCD11975599
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₇NO₃
Molecular Weight 141.13
Synonym(s) Methyl 3-hydroxy-1-H-pyrrole-2-carboxyate
SMILES O=C(OC)C=1NC=CC1O

Description

Methyl 3-hydroxy-1H-pyrrole-2-carboxylate features a reactive pyrrole core with a strategically positioned hydroxyl group and ester functionality, enabling direct incorporation into heterocyclic synthesis. This bench-stable intermediate supports efficient derivatization in medicinal chemistry and materials science applications.

Application

Methyl 3-hydroxy-1H-pyrrole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via standard functional group manipulations. The hydroxyl and ester groups offer orthogonal reactivity, facilitating selective derivatization under mild conditions. Its bench-stable nature and compatibility with common coupling and cyclization protocols make it well-suited for medicinal chemistry and process development workflows.

Synthesis

Route1
- 80-63-7
- 616-34-2
- ~%
- In-stock
  
  79068-31-8
References
- Warner-Lambert Company Patent: US4748183 A1, 1988 ;
Route2
- 57224-14-3
- 1972-28-7
- ~3%
- In-stock
  
  1193-62-0
- In-stock
  
  79068-31-8
- 79068-33-0
- 79068-30-7
References
- Haeusler, Johannes Liebigs Annalen der Chemie, 1981 , # 6 p. 1073 - 1088

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 62.32
LogP 0.5069
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Key Words

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Methyl 3-hydroxy-1H-pyrrole-2-carboxylate

CAS No. 79068-31-8

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