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CS-W001157 4
Total: USD 88.00

4-(Dimethylamino)but-2-ynoic acid hydrochloride

  • CAS No. 118764-06-0

  • Cat. No. CS-0564430
  • Purity≥95%
  • MDL No.MFCD28895396

*For research and further manufacturing use only, not for direct human use.

4-(Dimethylamino)but-2-ynoic acid hydrochloride|CS-0564430

Structure of 118764-06-0

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General Information

  • CAS No. 118764-06-0
  • Cat. No. CS-0564430
  • Purity ≥95%
  • MDL No. MFCD28895396
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀ClNO₂
  • Molecular Weight 163.60
  • Synonym(s) None
  • SMILES O=C(C#CCN(C)C)O.Cl

Description

4-(Dimethylamino)but-2-ynoic acid hydrochloride features a conjugated alkyne linker flanked by a strongly electron-donating dimethylamino group and a carboxylic acid moiety, enabling efficient coupling in bioconjugation and click chemistry applications. The hydrochloride salt enhances solubility and handling stability under standard bench conditions.

Application

4-(Dimethylamino)but-2-ynoic acid hydrochloride serves as a versatile building block for synthesizing substituted pyrroles and other nitrogen-containing heterocycles via [3+2] cycloaddition reactions. The alkyne functionality enables efficient coupling with azides and other dipolarophiles, while the dimethylamino group enhances nucleophilicity at the β-position. Its hydrochloride salt form ensures excellent bench stability, ease of handling, and compatibility with standard purification protocols in medicinal chemistry workflows.

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   0.0578
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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