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CS-W001157 4
Total: USD 88.00

1,2,3,4,5-Pentamethylbenzene

  • CAS No. 700-12-9

  • Cat. No. CS-W010978
  • Purity≥95%
  • MDL No.MFCD00008522

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

1,2,3,4,5-Pentamethylbenzene|CS-W010978

Structure of 700-12-9

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General Information

  • CAS No. 700-12-9
  • Cat. No. CS-W010978
  • Purity ≥95%
  • MDL No. MFCD00008522
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆
  • Molecular Weight 148.25
  • Synonym(s) Pentamethylbenzene
  • SMILES CC1=CC(C)=C(C)C(C)=C1C

Description

Pentamethylbenzene was used to prepare a mixture of nitropentamethylbenzene and 2,3,4,5-tetramethylbenzyl nitrate. It was also used to prepare propene.

Application

1,2,3,4,5-Pentamethylbenzene serves as a sterically congested aromatic scaffold enabling selective functionalization at the less hindered positions. Its high methyl substitution provides enhanced thermal stability and facilitates purification by distillation or crystallization. The compound functions as a building block for advanced synthetic intermediates, particularly in the development of bulky ligands and pharmaceutical analogs requiring hindered aromatic cores.

Synthesis

  • Route1
    • Pentamethylbenzoic acid|CS-0236670
      2243-32-5
    • ~92%
    • In-stock
      1,2,3,4,5-Pentamethylbenzene|CS-W010978
      700-12-9

    References

    • Keumi, Takashi; Morita, Toshio; Inui, Yoko; Teshima, Naomi; Kitajima, Hidehiko Synthesis, 1985 , # 10 p. 979 - 980
  • Route2
    • null|null
      503-17-3
    • In-stock
      Allyl 4-methylbenzenesulfonate,98% stabilized with MEHQ|CS-0137209
      4873-09-0
    • ~40%
    • In-stock
      1,2,3,4,5-Pentamethylbenzene|CS-W010978
      700-12-9

    References

    • Tsukada, Naofumi; Sugawara, Shuichi; Inoue, Yoshio Organic Letters, 2000 , vol. 2, # 5 p. 655 - 657
  • Route3
    • 1-(2,3,4,5,6-Pentamethylphenyl)ethan-1-one|CS-0449364
      2040-01-9
    • ~90%
    • In-stock
      1,2,3,4,5-Pentamethylbenzene|CS-W010978
      700-12-9

    References

    • Keumi, Takashi; Morita, Toshio; Inui, Yoko; Teshima, Naomi; Kitajima, Hidehiko Synthesis, 1985 , # 10 p. 979 - 980

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅱ
Hazard Statements : H228-H315-H319-H335
Precautionary Statements : P210-P240-P241-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.2287
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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