Methyl 1-methyl-1H-pyrrole-3-carboxylate

Name: Methyl 1-methyl-1H-pyrrole-3-carboxylate
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CAS No. 40611-74-3
Cat. No. CS-0151175
Purity≥98%
MDL No.MFCD19981621

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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 1-methyl-1H-pyrrole-3-carboxylate|CS-0151175

Structure of 40611-74-3

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General Information

CAS No. 40611-74-3
Cat. No. CS-0151175
Purity ≥98%
MDL No. MFCD19981621
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO₂
Molecular Weight 139.15
Synonym(s) methylpyrrole-3-carboxylic acid methyl ester
SMILES CN1C=CC(=C1)C(=O)OC

Description

Methyl 1-methyl-1H-pyrrole-3-carboxylate features a pyrrole core with complementary electron-rich and electron-deficient sites, enabling selective functionalization. The methyl ester group enhances solubility and stability under standard conditions, facilitating integration into synthetic sequences involving cross-coupling or electrophilic substitution.

Application

Methyl 1-methyl-1H-pyrrole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrrole scaffolds. Its methylated nitrogen enhances stability and modulates reactivity, while the ester group facilitates downstream transformations such as hydrolysis, reduction, or coupling reactions. The compound exhibits good bench stability and is compatible with standard reaction conditions, making it well-suited for medicinal chemistry and process development workflows.

Synthesis

Route1
- 38456-66-5
- 922-67-8
- ~81%
- In-stock
  
  40611-74-3
References
- SUNTORY LIMITED Patent: EP771790 A1, 1997 ;
Route2
- In-stock
  
  2703-17-5
- 74-88-4
- ~80%
- In-stock
  
  40611-74-3
References
- Mizuno, Akira; Ogata, Atsuto; Kamei, Tomoe; Shibata, Makoto; Shimamoto, Tetsuo; Hayashi, Yasuhiro; Nakanishi, Kyoko; Takiguchi, Chikako; Oka, Naomi; Inomata, Norio Chemical and Pharmaceutical Bulletin, 2000 , vol. 48, # 5 p. 623 - 635

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-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 31.23
LogP 0.8117
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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Methyl 1-methyl-1H-pyrrole-3-carboxylate

CAS No. 40611-74-3

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