(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

Name: (S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
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CAS No. 87321-20-8
Cat. No. CS-0152325
Purity≥97%
MDL No.MFCD01941070

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(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate|CS-0152325

Structure of 87321-20-8

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Description

(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate features a chiral octan-2-yl ester linked to a bulky, electron-rich aromatic system bearing a long aliphatic chain. This structure confers enhanced solubility in nonpolar media and stability under standard bench conditions. The para-hexyloxy substituent imparts lipophilicity, while the ortho-ester linkage enables selective reactivity in synthetic transformations. Designed for precision synthesis in complex molecule assembly.

Application

(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate serves as a chiral building block for stereocontrolled synthesis, leveraging its ester-functionalized aryl scaffold. The molecule enables efficient coupling reactions and exhibits robust bench stability, with the hexyloxy substituent enhancing solubility and facilitating purification. Its orthogonal functionality supports downstream transformations in complex molecule assembly.

General Information

CAS No. 87321-20-8
Cat. No. CS-0152325
Purity ≥97%
MDL No. MFCD01941070
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₃₈O₅
Molecular Weight 454.60
Synonym(s) 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
SMILES CCCCCC[C@H](C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

Computational Chemistry Data

TPSA 61.83
LogP 7.3806
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 15

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

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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(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate

CAS No. 87321-20-8

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