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Merck
CN

49362

Sigma-Aldrich

Dimethyl glutaconate

≥95.0% (GC)

Synonym(s):

Dimethyl 2-pentenoate

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About This Item

Linear Formula:
CH3OOCCH2CH=CHCOOCH3
CAS Number:
Molecular Weight:
158.15
Beilstein:
1724169
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

≥95.0% (GC)

refractive index

n20/D 1.452

density

1.124 g/mL at 20 °C (lit.)

functional group

ester

SMILES string

COC(=O)C\C=C\C(=O)OC

InChI

1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+

InChI key

SKCGFFOFYXLNCG-ONEGZZNKSA-N

General description

Dimethyl glutaconate, also known as dimethyl 2-pentenoate, is a diester. It reacts with salicaldehyde in the presence of piperidine to form a coumarin-fused electron deficient diene.

Application

Dimethyl glutaconate may be used in the synthesis of:
  • dimethyl 3-[(Z)-1-propenyl]glutarate
  • phenanthridinone derivatives
  • substituted benzenes

Other Notes

composition: ~83% trans + ~17% cis

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Chronic 3

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Base-Catalyzed Efficient Tandem [3+3] and [3+2+1] Annulation-Aerobic Oxidative Benzannulations.
Diallo A, et al.
Organic Letters, 14(22), 5776-5779 (2012)
A convenient method for the preparation of 3-substituted glutarate diesters.
Leotta III, et al.
The Journal of Organic Chemistry, 59(7), 1946-1946 (1994)
Electron Deficient Dienes. 2. One Step Synthesis of a Coumarin-Fused Electron Deficient Diene and its Inverse Electron Demand Diels-Alder Reactions with Enamines.
Bodwell GJ, et al.
Synlett, 4, 477-479 (1999)
One-Pot Synthesis of Phenanthridinones by Using a Base-Catalyzed/Promoted Bicyclization of a, ?-Unsaturated Carbonyl Compounds with Dimethyl Glutaconate.
Li L, et al.
European Journal of Organic Chemistry, 2015(22), 4892- 4899 (2015)

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