1,4-Dimethyl 2-acetylbutanedioate

Name: 1,4-Dimethyl 2-acetylbutanedioate
Brand: ChemScene
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CAS No. 10420-33-4
Cat. No. CS-0076499
Purity≥97%
MDL No.MFCD00008448

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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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1,4-Dimethyl 2-acetylbutanedioate|CS-0076499

Structure of 10420-33-4

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Description

1,4-Dimethyl 2-acetylbutanedioate features a bis-ester scaffold with acetyl and methyl substituents that enhance solubility and reactivity in synthetic transformations. This versatile diester integrates readily into complex molecular architectures, particularly in cyclization cascades and heterocycle synthesis under mild conditions.

Application

1,4-Dimethyl 2-acetylbutanedioate serves as a versatile synthon in heterocyclic synthesis, enabling efficient access to substituted pyrrolidines and piperidines via Michael addition–cyclization sequences. Its α-keto ester functionality facilitates selective enolization and condensation reactions, while the methyl substituents enhance bench stability and simplify purification. The molecule functions effectively in multicomponent couplings and supports orthogonal functional group handling in complex molecule assembly.

General Information

CAS No. 10420-33-4
Cat. No. CS-0076499
Purity ≥97%
MDL No. MFCD00008448
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂O₅
Molecular Weight 188.18
Synonym(s) Dimethyl acetylsuccinate
SMILES O=C(C(C(C)=O)CC(OC)=O)OC

Computational Chemistry Data

TPSA 69.67
LogP -0.0723
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 4

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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty chain compounds

Key Words

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1,4-Dimethyl 2-acetylbutanedioate

CAS No. 10420-33-4

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