ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate hydrate
$300.00
CAS No.: NA
Catalog No.: 190812
Purity: 92%
MF: C12H18N2O6S
MW: 318.351
Storage: 2-8 degree Celsius
SMILES: O=C(OCC)C(N)C#N.O=S(C1=CC=C(C)C=C1)(O)=O.[H]O[H]
Catalog No.: 190812
Purity: 92%
MF: C12H18N2O6S
MW: 318.351
Storage: 2-8 degree Celsius
SMILES: O=C(OCC)C(N)C#N.O=S(C1=CC=C(C)C=C1)(O)=O.[H]O[H]
ethyl 2-Amino-2-cyanoacetate 4-methylbenzenesulfonate hydrate (190812). PROPERTIES: This compound is a hydrated salt featuring an amino-cyanoacetate moiety paired with a 4-methylbenzenesulfonate counterion. As a hydrate, it is prone to moisture absorption, forming a crystalline solid that is soluble in polar solvents like water and methanol. Store in a dry, sealed container at room temperature to prevent dehydration or degradation. Safety-wise, handle with gloves to avoid skin irritation from the acidic sulfonate group, and work in a well-ventilated area to minimize inhalation of dust. APPLICATIONS: In organic synthesis, ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate hydrate serves as a versatile intermediate. The amino and cyano groups enable nucleophilic substitution and condensation reactions, while the ester group allows for further functionalization (e.g., hydrolysis or transesterification). It is used in constructing heterocyclic compounds like pyrimidines or oxazoles, which are common in pharmaceutical intermediates. For instance, the cyano group can be converted to an amide or carboxylic acid, and the amino group can form peptide bonds. This utility is rooted in synthetic organic chemistry practices, as described in reagent handbooks and intermediate synthesis protocols.
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