Methyl 4-amino-3-formylbenzoate

Name: Methyl 4-amino-3-formylbenzoate
Brand: ChemScene
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CAS No. 841296-15-9
Cat. No. CS-0043681
Purity≥98%
MDL No.MFCD16660047

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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 4-amino-3-formylbenzoate|CS-0043681

Structure of 841296-15-9

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General Information

CAS No. 841296-15-9
Cat. No. CS-0043681
Purity ≥98%
MDL No. MFCD16660047
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉NO₃
Molecular Weight 179.17
Synonym(s) Benzoic acid, 4-amino-3-formyl-, methyl ester
SMILES COC(=O)C1=CC(C=O)=C(N)C=C1

Description

Methyl 4-amino-3-formylbenzoate features a formyl group flanked by electron-rich amino and ester functionalities, enabling direct integration into multistep syntheses. This bench-stable scaffold supports efficient derivatization in medicinal chemistry and materials development under standard conditions.

Application

Methyl 4-amino-3-formylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to substituted benzimidazoles, quinoline derivatives, and other heterocyclic scaffolds. The formyl group facilitates nucleophilic addition reactions, while the amino and ester functionalities offer orthogonal reactivity for sequential transformations. Its bench-stable nature and compatibility with standard coupling and cyclization protocols make it well-suited for multi-step synthesis and process-scale applications.

Synthesis

Route1
- In-stock
  
  148625-35-8
- ~91%
- In-stock
  
  841296-15-9
References
- Zhang, Chen; De, Chandra Kanta; Mal, Rudrajit; Seidel, Daniel Journal of the American Chemical Society, 2008 , vol. 130, # 2 p. 416 - 417
Route2
- 841296-14-8
- ~%
- In-stock
  
  841296-15-9
References
- WO2005/12288 A1, ; Page/Page column 126 ;

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 69.39
LogP 0.8679
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-3-formylbenzoate

CAS No. 841296-15-9

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