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CS-W001157 4
Total: USD 88.00

tert-Pentylbenzene

  • CAS No. 2049-95-8

  • Cat. No. CS-W013305
  • Molecule weight148.24
  • Purity≥98%
  • MDL No.MFCD00015187

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

tert-Pentylbenzene|CS-W013305

Structure of 2049-95-8

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General Information

  • CAS No. 2049-95-8
  • Cat. No. CS-W013305
  • Purity ≥98%
  • MDL No. MFCD00015187
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆
  • Molecular Weight 148.24
  • Synonym(s) tert-Amylbenzene
  • SMILES CC(C)(CC)C1=CC=CC=C1

Description

tert-Pentylbenzene features a bulky, sterically hindered alkyl chain attached to a benzene ring, delivering enhanced stability and reduced reactivity in electrophilic substitution. This structural motif enables controlled functionalization and serves as a valuable scaffold in organic synthesis and medicinal chemistry applications.

Application

tert-Pentylbenzene serves as a robust alkylated aromatic building block, enabling efficient access to sterically hindered arenes via standard electrophilic substitution and cross-coupling protocols. Its tertiary carbon center imparts enhanced bench stability and facilitates purification by distillation or recrystallization. The molecule functions effectively in catalytic transformations and serves as a structural motif in the synthesis of pharmaceutical intermediates and functional materials requiring high steric congestion.

Synthesis

  • Route1
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      123-51-3
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      7637-07-2
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      71-43-2
    • ~%
    • 1-Phenyl-1-methylbutane|CS-0450406
      2719-52-0
    • In-stock
      tert-Pentylbenzene|CS-W013305
      2049-95-8
    • Pentan-3-ylbenzene|CS-0335049
      1196-58-3

    References

    • Journal of the American Chemical Society, , vol. 81, p. 1110
  • Route2
    • In-stock
      3-Pentanol|CS-0128838
      584-02-1
    • null|null
      7637-07-2
    • null|null
      71-43-2
    • ~%
    • 1-Phenyl-1-methylbutane|CS-0450406
      2719-52-0
    • In-stock
      tert-Pentylbenzene|CS-W013305
      2049-95-8
    • Pentan-3-ylbenzene|CS-0335049
      1196-58-3

    References

    • Journal of the American Chemical Society, , vol. 81, p. 1110
  • Route3
    • null|null
      29571-65-1
    • null|null
      71-43-2
    • ~%
    • null|null
      253185-03-4
    • In-stock
      tert-Pentylbenzene|CS-W013305
      2049-95-8

    References

    • European Journal of Organic Chemistry, , # 31 p. 6335 - 6342

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07,GHS09
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H317-H411
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P272-P273-P280-P363-P370+P378-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.3742
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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