3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde

Name: 3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde
Brand: ChemScene
Availability: InStock
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CAS No. 40236-20-2
Cat. No. CS-0040707
Molecule weight168.15
Purity≥98%
MDL No.None

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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+
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3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde|CS-0040707

Structure of 40236-20-2

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General Information

CAS No. 40236-20-2
Cat. No. CS-0040707
Purity ≥98%
MDL No. None
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₈N₂O₃
Molecular Weight 168.15
Synonym(s) 3,5-Dimethyl-4-nitro-1H-pyrrole-2-carbaldehyde
SMILES O=CC1=C(C)C([N+]([O-])=O)=C(C)N1

Description

3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde features a pyrrole core with electron-deficient nitro and aldehyde functionalities, enabling efficient coupling in heterocyclic synthesis. The dimethyl substitution enhances solubility and steric protection, while the para-nitro group facilitates conjugation and reactivity in transition-metal-catalyzed transformations. This bench-stable scaffold streamlines access to functionalized pyrrole derivatives for medicinal chemistry and materials applications.

Application

3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrrole derivatives via standard condensation and coupling reactions. Its aldehyde functionality facilitates facile derivatization, while the nitro group enhances electrophilicity for nucleophilic addition and subsequent transformations. The dimethyl substitution provides steric and electronic modulation, improving stability and selectivity in multistep syntheses. This compound functions reliably in medicinal chemistry and materials science applications requiring robust, bench-stable intermediates with predictable reactivity.

Synthesis

Route1
- In-stock
  
  2199-58-8
- ~99%
- In-stock
  
  40236-20-2
References
- Zhang, Long; Zheng, Qingmei; Yang, Yingying; Zhou, Haojie; Gong, Xingjiang; Zhao, Shuyong; Fan, Chuanwen European Journal of Medicinal Chemistry, 2014 , vol. 82, p. 139 - 151
Route2
- 33458-34-3
- 74-90-8
- ~%
- In-stock
  
  40236-20-2
References
- Fischer; Beller; Stern Chemische Berichte, 1928 , vol. 61, p. 1082

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

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Computational Chemistry Data

TPSA 76
LogP 1.35224
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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3,5-Dimethyl-4-nitro-2-pyrrolecarboxaldehyde

CAS No. 40236-20-2

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