Methyl 3-acetylbenzoate

Name: Methyl 3-acetylbenzoate
Brand: ChemScene
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CAS No. 21860-07-1
Cat. No. CS-0044352
Purity≥95%
MDL No.MFCD09475799

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Description

Methyl 3-acetylbenzoate features a benzene ring bearing both ester and acetyl substituents in close proximity, enabling efficient integration into complex molecular architectures. This ortho-substituted derivative exhibits enhanced reactivity in electrophilic substitution and serves as a key intermediate for pharmaceuticals and specialty polymers.

Application

Methyl 3-acetylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard condensation protocols. Its dual functionality—ester and ketone groups—supports sequential transformations with high regiocontrol. The compound exhibits excellent bench stability, facilitates straightforward purification by recrystallization or column chromatography, and demonstrates broad compatibility with common coupling and reduction reactions in medicinal chemistry workflows.

General Information

CAS No. 21860-07-1
Cat. No. CS-0044352
Purity ≥95%
MDL No. MFCD09475799
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₃
Molecular Weight 178.18
Synonym(s) 3-Acetyl-benzoic acid methyl ester
SMILES O=C(OC)C1=CC=CC(C(C)=O)=C1

Computational Chemistry Data

TPSA 43.37
LogP 1.6758
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 3-acetylbenzoate

CAS No. 21860-07-1

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