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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

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