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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Ethyl 3-Methyl-2-butenoate-[d6]

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General Information
Catalog: BLP-010811
CAS: 53439-15-9
Molecular Formula: C7H6D6O2
Molecular Weight: 134.21
Chemical Structure
Ethyl 3-Methyl-2-butenoate-[d6]
Description Ethyl 3-Methyl-2-butenoate-[d6] is the labelled analogue of Ethyl 3-Methyl-2-butenoate, which is used in the synthesis of Endothelin-A antagonist ABT-546 and used in the preparation of antidepressant Rolipram.
Synonyms Ethyl 3-Methyl-2-butenoate-d6; 3-(Methyl-d3)-2-butenoic-4,4,4-d3 Acid Ethyl Ester; 3-Methyl-2-butenoic Acid Ethyl Ester-d6; Ethyl 3,3-Dimethylacrylate-d6; Ethyl 3-Methylcrotonate-d6; Ethyl Dimethylacrylate-d6; Ethyl Isobutenoate-d6; NSC 99208-d6; Ethyl Isopropylideneacetate-d6; Ethyl Senecioate-d6; Ethyl β,β-Dimethylacrylate-d6; Ethyl β-Methylcrotonate-d6; NSC 61853-d6
IUPAC Name ethyl 4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enoate
Related CAS 638-10-8 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H]
Canonical SMILES CCOC(=O)C=C(C)C
InChI InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/i2D3,3D3
InChI Key UTXVCHVLDOLVPC-XERRXZQWSA-N
Purity 95%
Solubility Soluble in Dichloromethane, Ether, Ethyl Acetate, Hexane
Appearance Pale Yellow Liquid
Storage Store at 2-8°C
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