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CS-W001157 4
Total: USD 88.00

4-Chloro-1,1-dimethoxybutane

  • CAS No. 29882-07-3

  • Cat. No. CS-W008139
  • Purity≥96%
  • MDL No.MFCD09032953

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

4-Chloro-1,1-dimethoxybutane|CS-W008139

Structure of 29882-07-3

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General Information

  • CAS No. 29882-07-3
  • Cat. No. CS-W008139
  • Purity ≥96%
  • MDL No. MFCD09032953
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₃ClO₂
  • Molecular Weight 152.62
  • Synonym(s) 4-CHLORO BUTYALDEHYDE DIMETHYL ACETAL; 4-Chloro-1,1-dimethoxybutane
  • SMILES COC(OC)CCCCl

Description

4-Chloro-1,1-dimethoxybutane is a bench-stable, moisture-tolerant electrophilic reagent featuring a chlorine-bearing carbon flanked by two methoxy groups. This configuration enables selective alkylation under mild conditions, delivering efficient coupling in nucleophilic substitution reactions. The dimethoxy moiety enhances solubility and reduces hydrolytic degradation, streamlining handling in synthetic workflows.

Application

4-Chloro-1,1-dimethoxybutane serves as a versatile electrophilic building block in synthetic organic chemistry, enabling the introduction of chlorinated alkyl chains under mild conditions. Its dimethoxy group stabilizes the adjacent carbon center, enhancing bench stability and reducing side reactions. The molecule facilitates nucleophilic substitution with amines, thiols, and stabilized carbanions, making it useful for constructing heterocyclic scaffolds and functionalized intermediates in medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      763101-16-2
    • ~75%
    • In-stock
      4-Chloro-1,1-dimethoxybutane|CS-W008139
      29882-07-3

    References

    • Hyatt, John A. Organic Preparations and Procedures International, 2004 , vol. 36, # 5 p. 487 - 490
  • Route2
    • In-stock
      4-Chlorobutanal|CS-0695762
      6139-84-0
    • null|null
      77-76-9
    • ~51%
    • In-stock
      4-Chloro-1,1-dimethoxybutane|CS-W008139
      29882-07-3

    References

    • Athar, Taimur Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1998 , vol. 37, # 10 p. 1037 - 1038
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Chlorobutanal|CS-0695762
      6139-84-0
    • ~%
    • In-stock
      4-Chloro-1,1-dimethoxybutane|CS-W008139
      29882-07-3

    References

    • Journal of Organic Chemistry, , vol. 59, # 13 p. 3738 - 3741

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P280-P362-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   1.6243
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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