Ethyl 3-phenyl-2- butenoate

Name: Ethyl 3-phenyl-2- butenoate
Brand: ChemScene
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CAS No. 945-93-7
Cat. No. CS-0098920
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+
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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Description

Ethyl 3-phenyl-2-butenoate features a conjugated enoate system with a pendant phenyl group, enabling efficient participation in Michael additions and Diels-Alder cycloadditions. This electron-deficient alkene integrates readily into synthetic routes requiring precise stereocontrol and functional group tolerance under standard conditions.

Application

Ethyl 3-phenyl-2-butenoate serves as a versatile synthetic intermediate in organic synthesis, enabling efficient access to substituted cyclohexenes and other cyclic frameworks via [4+2] cycloaddition reactions. Its conjugated enoate system exhibits high reactivity in Diels-Alder processes, with the phenyl group providing steric and electronic modulation. The ester functionality offers compatibility with standard transformations including hydrolysis, reduction, and cross-coupling, facilitating downstream derivatization. Bench-stable and readily purified by distillation or chromatography, it functions effectively in multistep syntheses requiring predictable regioselectivity and functional group tolerance.

General Information

CAS No. 945-93-7
Cat. No. CS-0098920
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₄O₂
Molecular Weight 190.24
Synonym(s) Ethylbeta-methylcinnamate
SMILES C/C(C1=CC=CC=C1)=C\C(OCC)=O

Computational Chemistry Data

TPSA 26.3
LogP 2.653
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

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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Ethyl 3-phenyl-2- butenoate

CAS No. 945-93-7

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