(E)-4-Methoxybut-2-enoic acid

Name: (E)-4-Methoxybut-2-enoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 63968-74-1
Cat. No. CS-0100437
Molecule weight116.12
Purity≥98%
MDL No.MFCD03789599

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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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(E)-4-Methoxybut-2-enoic acid|CS-0100437

Structure of 63968-74-1

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General Information

CAS No. 63968-74-1
Cat. No. CS-0100437
Purity ≥98%
MDL No. MFCD03789599
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₈O₃
Molecular Weight 116.12
Synonym(s) ZOJKRWXDNYZASL-NSCUHMNNSA-N
SMILES O=C(O)/C=C/COC

Description

(E)-4-Methoxybut-2-enoic acid features a conjugated enoic acid system with a methoxy group at the γ-position, enhancing electronic delocalization and stability. This configuration supports efficient participation in Michael additions and Diels-Alder reactions. The compound exhibits favorable solubility in common organic solvents and maintains stability under standard bench conditions.

Application

(E)-4-Methoxybut-2-enoic acid serves as a versatile building block for synthesizing α,β-unsaturated esters and heterocyclic systems via Michael addition and cycloaddition reactions. Its conjugated enoate structure enables reliable participation in palladium-catalyzed couplings and Diels-Alder transformations, while the methoxy group enhances solubility and provides a handle for further derivatization. The compound exhibits good bench stability and is readily purified by distillation or recrystallization, making it suitable for scalable synthesis workflows.

Synthesis

Route1
- 20629-35-0
- 124-41-4
- ~95%
- In-stock
  
  63968-74-1
References
- MSD OSS B.V.; MAN, de Adrianus, Petrus, Antonius; WIJKMANS, Jacobus C.H.M.; STERRENBURG, Jan-Gerard; RAAIJMAKERS, Hans C.A.; BARF, Tjeerd A.; BUIJSMAN, Rogier, Christian; OUBRIE, Arthur A.; REWINKEL, Johannes, Bernardus, Maria; JANS, Christiaan, Gerardus, Johannes, Maria; STOCK, Herman, Thijs Patent: WO2013/10869 A1, 2013 ; Location in patent: Page/Page column 35 ;WO 2013/010869 A1

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-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 46.53
LogP 0.2736
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Olefins

Building Blocks Skeleton Fatty chain compounds

General Reagents Organic General Reagents

Key Words

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(E)-4-Methoxybut-2-enoic acid

CAS No. 63968-74-1

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