(1r,4r)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

Name: (1r,4r)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 81701-13-5
Cat. No. CS-0059979
Purity≥98%
MDL No.None

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(1r,4r)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate|CS-0059979

Structure of 81701-13-5

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Description

This (trans,trans)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate features a rigid, sterically hindered bi-cyclohexane scaffold paired with a fluorinated phenyl group and a propyl-substituted carboxylate. The configuration enhances conformational stability and solubility in organic media, enabling reliable use in asymmetric synthesis and ligand development.

Application

(trans,trans)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate serves as a robust chiral building block for the synthesis of complex pharmaceutical scaffolds. Its rigid bi-cyclohexyl framework provides excellent stereochemical stability, while the fluorophenyl and propyl ester functionalities enable diverse downstream transformations. The compound exhibits high bench stability, facilitates efficient purification, and functions effectively in standard coupling and functional group interconversion protocols common in medicinal chemistry workflows.

General Information

CAS No. 81701-13-5
Cat. No. CS-0059979
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₃₁FO₂
Molecular Weight 346.48
Synonym(s) trans,trans-4'-Propyl[1,1'-bicyclohexyl]-4-carboxylic Acid 4-Fluorophenyl Ester
SMILES C=1C(=CC=C(OC(=O)[C@H]2CC[C@@H](CC2)C3CC[C@@H](CC3)CCC)C1)F

Computational Chemistry Data

TPSA 26.3
LogP 6.144
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 5

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Material Science Electronic Materials Liquid crystal (LC) materials

Material Science Electronic Materials Liquid Crystal (LC) Materials Nematic Liquid Crystals, Smectic Liquid Crystals

Key Words

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(1r,4r)-4-Fluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS No. 81701-13-5

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