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CS-W001157 4
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1-Benzyl-2-methylbenzene

  • CAS No. 713-36-0

  • Cat. No. CS-0466249
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-2-methylbenzene|CS-0466249

Structure of 713-36-0

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General Information

  • CAS No. 713-36-0
  • Cat. No. CS-0466249
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄
  • Molecular Weight 182.26
  • Synonym(s) 2-METHYLDIPHENYLMETHANE
  • SMILES CC1=CC=CC=C1CC2=CC=CC=C2

Description

1-Benzyl-2-methylbenzene features a fused aromatic system with orthogonal benzyl and methyl substituents, delivering enhanced steric and electronic differentiation. This configuration supports selective functionalization in synthetic routes, particularly in pharmaceutical intermediates and ligand design. The molecule exhibits good stability under standard bench conditions.

Application

1-Benzyl-2-methylbenzene serves as a versatile aromatic building block in synthetic organic chemistry, enabling efficient construction of substituted arenes and heterocyclic scaffolds. Its bench-stable structure features orthogonal functionalization potential at the benzyl and methyl positions, facilitating selective transformations such as oxidation, halogenation, and cross-coupling reactions. The compound functions effectively in catalytic processes and exhibits favorable handling characteristics for scale-up applications.

Synthesis

  • Route1
    • In-stock
      1-Iodo-2-methylbenzene|CS-W007394
      615-37-2
    • null|null
      28493-54-1
    • ~75%
    • In-stock
      1-Benzyl-2-methylbenzene|CS-0466249
      713-36-0

    References

    • Ocampo, Romina A.; Koll, Liliana C.; Mandolesi, Sandra D. Ultrasonics Sonochemistry, 2013 , vol. 20, # 1 p. 40 - 46
  • Route2

    References

    • Li, Jin-Heng; Liu, Wen-Jie; Yin, Du-Lin Synthetic Communications, 2004 , vol. 34, # 17 p. 3161 - 3165
  • Route3

    References

    • Bolliger, Jeanne L.; Frech, Christian M. Chemistry - A European Journal, 2010 , vol. 16, # 13 p. 4075 - 4081

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.58582
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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