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CS-W001157 4
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3-Methylbut-2-en-1-amine hydrochloride

  • CAS No. 26728-58-5

  • Cat. No. CS-0236946
  • Purity≥97%
  • MDL No.None

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

3-Methylbut-2-en-1-amine hydrochloride|CS-0236946

Structure of 26728-58-5

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General Information

  • CAS No. 26728-58-5
  • Cat. No. CS-0236946
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₂ClN
  • Molecular Weight 121.61
  • Synonym(s) 3-METHYL-2-BUTENE-1-AMINE HCL
  • SMILES NC/C=C(C)\C.Cl

Description

3-Methylbut-2-en-1-amine hydrochloride is a bench-stable, moisture-tolerant amine derivative featuring a conjugated enamine system. This structure enables efficient incorporation into synthetic sequences requiring nucleophilic reactivity under mild conditions. The hydrochloride salt enhances solubility in polar solvents and simplifies handling in standard organic workflows.

Application

3-Methylbut-2-en-1-amine hydrochloride serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized isoprenoid derivatives and nitrogen-containing heterocycles. Its allylic amine functionality facilitates smooth Michael additions, electrophilic substitutions, and transition-metal-catalyzed coupling reactions. The hydrochloride salt form enhances bench stability, simplifies purification, and improves solubility in polar solvents—key advantages for scalable synthesis and process development in medicinal chemistry workflows.

Synthesis

  • Route1
    • Prenyl acetate|CS-W011131
      1191-16-8
    • ~%
    • In-stock
      3-Methylbut-2-en-1-amine hydrochloride|CS-0236946
      26728-58-5

    References

    • Murahashi, Shun-Ichi; Tanigawa, Yoshio; Imada, Yasushi; Taniguchi, Yuki Tetrahedron Letters, 1986 , vol. 27, # 2 p. 227 - 230
  • Route2
    • 2-(3-Methylbut-2-en-1-yl)isoindoline-1,3-dione|CS-0434655
      15936-45-5
    • ~76%
    • In-stock
      3-Methylbut-2-en-1-amine hydrochloride|CS-0236946
      26728-58-5

    References

    • Coxon, Geoffrey D.; Furman, Brian L.; Harvey, Alan L.; McTavish, John; Mooney, Mark H.; Arastoo, Mahmoud; Kennedy, Alan R.; Tettey, Justice M.; Waigh, Roger D. Journal of Medicinal Chemistry, 2009 , vol. 52, # 11 p. 3457 - 3463
  • Route3
    • null|null
      870-63-3
    • ~%
    • In-stock
      3-Methylbut-2-en-1-amine hydrochloride|CS-0236946
      26728-58-5

    References

    • Crombie, Leslie; Jarrett, Sandra R. M. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992 , # 23 p. 3179 - 3184

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.3331
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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