Ethyl 4-acetylbenzoate

Name: Ethyl 4-acetylbenzoate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 38430-55-6
Cat. No. CS-M0167
Purity≥98%
MDL No.MFCD00013241

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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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Structure of 38430-55-6

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General Information

CAS No. 38430-55-6
Cat. No. CS-M0167
Purity ≥98%
MDL No. MFCD00013241
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂O₃
Molecular Weight None
Synonym(s) 4-Acetylbenzoic Acid Ethyl Ester
SMILES O=C(OCC)C1=CC=C(C(C)=O)C=C1

Description

Ethyl 4-acetylbenzoate features a conjugated acetyl-aryl system with an ester handle, enabling direct integration into synthetic routes requiring electron-deficient aromatic intermediates. This bench-stable compound pairs well with nucleophilic reagents in transition-metal-catalyzed couplings and serves as a building block for functionalized benzophenones under mild conditions.

Application

Ethyl 4-acetylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzene derivatives and heterocyclic scaffolds. Its dual functionality—ester and ketone groups—facilitates sequential transformations, including Claisen condensations, Michael additions, and cyclization reactions. The compound exhibits good bench stability and is readily purified by standard techniques, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

Route1
- 64-17-5
- In-stock
  
  13329-40-3
- 201230-82-2
- ~97%
- In-stock
  
  38430-55-6
References
- Kormos, Chad M.; Leadbeater, Nicholas E. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 1 p. 65 - 68
Route2
- 64-17-5
- 201230-82-2
- 64101-67-3
- ~94%
- In-stock
  
  38430-55-6
References
- Cai, Chaoxian; Rivera, Nelo R.; Balsells, Jaume; Sidler, Rick R.; McWilliams, J. Christopher; Shultz, C. Scott; Sun, Yongkui Organic Letters, 2006 , vol. 8, # 22 p. 5161 - 5164
Route3
- 64-17-5
- 201230-82-2
- 123412-35-1
- ~97%
- In-stock
  
  38430-55-6
References
- Cai, Chaoxian; Rivera, Nelo R.; Balsells, Jaume; Sidler, Rick R.; McWilliams, J. Christopher; Shultz, C. Scott; Sun, Yongkui Organic Letters, 2006 , vol. 8, # 22 p. 5161 - 5164

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Quality Control

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Computational Chemistry Data

TPSA 43.37
LogP 2.0659
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Ethyl 4-acetylbenzoate

CAS No. 38430-55-6

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