trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one

Name: trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one
Brand: ChemScene
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CAS No. 92413-47-3
Cat. No. CS-0152436
Purity≥98%
MDL No.MFCD06797514

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one|CS-0152436

Structure of 92413-47-3

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General Information

CAS No. 92413-47-3
Cat. No. CS-0152436
Purity ≥98%
MDL No. MFCD06797514
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₈O
Molecular Weight 236.39
Synonym(s) 4-butyldicyclohexylanone
SMILES CCCC[C@H]1CC[C@@H](CC1)C2CCC(=O)CC2

Description

trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one is a sterically hindered ketone featuring a bulky butyl-substituted bicyclic framework. This configuration imparts enhanced stability and solubility in nonpolar solvents, enabling its use in asymmetric synthesis and as a chiral auxiliary scaffold.

Application

trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one serves as a rigid, sterically defined chiral building block for asymmetric synthesis. Its bicyclic framework provides enhanced conformational stability and facilitates stereocontrolled functionalization at the ketone position. The butyl substituent enhances solubility and aids in purification, while the ketone functionality enables diverse transformations including enolate chemistry, reductive amination, and conjugate addition—making it valuable for constructing complex molecular architectures in medicinal chemistry and natural product synthesis.

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 17.07
LogP 4.7423
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Cyclohexanones

Key Words

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trans-[4'-Butyl-1,1'-bicyclohexyl]-4-one

CAS No. 92413-47-3

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