trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate

Name: trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate
Brand: ChemScene
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CAS No. 67284-56-4
Cat. No. CS-W009848
Purity≥98%
MDL No.MFCD09751067

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trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate|CS-W009848

Structure of 67284-56-4

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General Information

CAS No. 67284-56-4
Cat. No. CS-W009848
Purity ≥98%
MDL No. MFCD09751067
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₂₃NO₂
Molecular Weight 333.43
Synonym(s) trans-4'-cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate
SMILES O=C([C@H]1CC[C@H](CC)CC1)OC2=CC=C(C3=CC=C(C#N)C=C3)C=C2

Description

trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate features a rigid biphenyl scaffold with a cyano group at the para position, enhancing electron deficiency and enabling strong dipole interactions. The ester-linked cyclohexane moiety provides steric bulk and conformational stability, ideal for molecular scaffolding in organic synthesis and materials design under standard conditions.

Application

trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate serves as a versatile building block in the synthesis of functionalized biphenyl scaffolds and liquid crystal intermediates. The molecule combines a stable trans-cyclohexanecarboxylate moiety with a terminal cyano-substituted biphenyl group, enabling robust coupling reactions and offering favorable bench stability. Its defined stereochemistry and functional group tolerance facilitate downstream transformations in medicinal chemistry and materials science applications.

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

Quality Control

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Computational Chemistry Data

TPSA 50.09
LogP 5.34708
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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trans-4'-Cyano-[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate

CAS No. 67284-56-4

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