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1-Ethoxy-2,3-difluoro-4-(trans-4-pentylcyclohexyl)benzene

  • CAS No. 124729-02-8

  • Cat. No. CS-0152360
  • Molecule weight310.42
  • Purity≥98%
  • MDL No.MFCD11053401

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

1-Ethoxy-2,3-difluoro-4-(trans-4-pentylcyclohexyl)benzene|CS-0152360

Structure of 124729-02-8

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General Information

  • CAS No. 124729-02-8
  • Cat. No. CS-0152360
  • Purity ≥98%
  • MDL No. MFCD11053401
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₈F₂O
  • Molecular Weight 310.42
  • Synonym(s) TRANS-1-ETHOXY-2,3-DIFLUORO-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
  • SMILES CCCCC[C@H]1CC[C@@H](CC1)C2=C(C(=C(C=C2)OCC)F)F

Description

This difluorinated benzene derivative features a trans-4-pentylcyclohexyl group that imparts enhanced lipophilicity and conformational rigidity, while the 1-ethoxy substituent contributes to solubility and synthetic versatility. The molecule integrates well into functionalized aromatic scaffolds for materials science and pharmaceutical applications.

Application

1-Ethoxy-2,3-difluoro-4-(trans-4-pentylcyclohexyl)benzene serves as a versatile fluorinated aromatic building block for the synthesis of bioactive molecules and functional materials. The trans-4-pentylcyclohexyl group imparts enhanced lipophilicity and conformational stability, while the ortho-difluoro substitution enables selective metal-catalyzed coupling reactions. Its bench-stable ethoxy functionality facilitates straightforward derivatization, making it ideal for medicinal chemistry campaigns requiring tailored scaffold diversity.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   6.2176
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   7

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