(4S,4′S)-4,4′,5,5′-Tetrahydro-4,4′-bis(1-propylbutyl)-2,2′-bioxazole

Name: (4S,4′S)-4,4′,5,5′-Tetrahydro-4,4′-bis(1-propylbutyl)-2,2′-bioxazole
Brand: ChemScene
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CAS No. 2094476-37-4
Cat. No. CS-0655733
Purity≥98%
MDL No.None

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(4S,4′S)-4,4′,5,5′-Tetrahydro-4,4′-bis(1-propylbutyl)-2,2′-bioxazole|CS-0655733

Structure of 2094476-37-4

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General Information

CAS No. 2094476-37-4
Cat. No. CS-0655733
Purity ≥98%
MDL No. None
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₃₆N₂O₂
Molecular Weight 336.51
Synonym(s) None
SMILES CCCC(CCC)[C@H]1COC(C2=N[C@@H](C(CCC)CCC)CO2)=N1

Description

This chiral oxazole derivative features a rigid, electron-rich scaffold with sterically shielded substituents that enhance stability and solubility. The (4S,4′S) configuration ensures precise stereochemical control, enabling reliable performance in asymmetric synthesis and catalytic applications. Ideal for use in ligand design and functional materials requiring defined spatial orientation and robustness under standard conditions.

Application

(4S,4′S)-4,4′,5,5′-Tetrahydro-4,4′-bis(1-propylbutyl)-2,2′-bioxazole serves as a stable, bench-ready chiral auxiliary enabling asymmetric synthesis through predictable oxazoline ring reactivity. Its sterically defined bis(alkyl) substitution enhances solubility and functional group tolerance, facilitating efficient coupling reactions and serving as a robust scaffold for constructing complex heterocyclic architectures in medicinal chemistry workflows.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 43.18
LogP 5.0138
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 11

Key Words

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(4S,4′S)-4,4′,5,5′-Tetrahydro-4,4′-bis(1-propylbutyl)-2,2′-bioxazole

CAS No. 2094476-37-4

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