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CS-W001157 4
Total: USD 88.00

1,3-Diisopropoxybenzene

  • CAS No. 79128-08-8

  • Cat. No. CS-0154156
  • Molecule weight194.27
  • Purity≥98%
  • MDL No.MFCD07784412

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

1,3-Diisopropoxybenzene|CS-0154156

Structure of 79128-08-8

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General Information

  • CAS No. 79128-08-8
  • Cat. No. CS-0154156
  • Purity ≥98%
  • MDL No. MFCD07784412
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₂
  • Molecular Weight 194.27
  • Synonym(s) 1,3-bis(1-methylethoxy)benzene
  • SMILES CC(C)OC1=CC(=CC=C1)OC(C)C

Description

1,3-Diisopropoxybenzene features two isopropoxy groups positioned at the meta-positions of a benzene ring, delivering enhanced solubility in organic media and improved stability under ambient conditions. This sterically shielded aryl scaffold integrates readily into coupling reactions and serves as a robust building block for functionalized aromatics in synthetic methodology and materials chemistry.

Application

1,3-Diisopropoxybenzene serves as a versatile aromatic building block in synthetic organic chemistry, offering enhanced solubility and steric protection compared to simpler alkoxyarenes. Its ortho-dialkoxy substitution pattern facilitates electrophilic aromatic substitution with predictable regiochemistry and enables downstream functionalization in Suzuki-Miyaura and Stille coupling reactions. The isopropoxy groups provide bench stability and ease of purification, making it suitable for use in pharmaceutical intermediates and agrochemical scaffold synthesis.

Synthesis

  • Route1
    • null|null
      75-26-3
    • null|null
      108-46-3
    • ~92%
    • In-stock
      1,3-Diisopropoxybenzene|CS-0154156
      79128-08-8

    References

    • Milne, Jacqueline E.; Buchwald, Stephen L. Journal of the American Chemical Society, 2004 , vol. 126, # 40 p. 13028 - 13032
  • Route2
    • null|null
      75-30-9
    • null|null
      108-46-3
    • ~%
    • In-stock
      1,3-Diisopropoxybenzene|CS-0154156
      79128-08-8

    References

    • TOYAMA CHEMICAL CO., LTD.; Hirono, Shuichi; Shiozawa, Shunichi Patent: EP1445249 A1, 2004 ; Location in patent: Page 117 ;
  • Route3
    • In-stock
      3-Ethoxycyclohex-2-en-1-one|CS-0100015
      5323-87-5
    • null|null
      1636-01-7
    • ~29%
    • In-stock
      1,3-Diisopropoxybenzene|CS-0154156
      79128-08-8
    • null|null
      123507-48-2

    References

    • Hirao, Toshikazu; Mori, Makoto; Ohshiro, Yoshiki Journal of Organic Chemistry, 1990 , vol. 55, # 1 p. 358 - 360

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H411
Precautionary Statements : P264-P273-P280-P305+P351+P338-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   3.261
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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