1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene

Name: 1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene
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CAS No. 138372-67-5
Cat. No. CS-0168834
Purity≥95%
MDL No.MFCD03093214

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1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene|CS-0168834

Structure of 138372-67-5

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General Information

CAS No. 138372-67-5
Cat. No. CS-0168834
Purity ≥95%
MDL No. MFCD03093214
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₀H₃₀N₄O₂
Molecular Weight 478.58
Synonym(s) 2,2'-benzene-1,3-diylbis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole]
SMILES CC(C)(C)C1=CC=C(C=C1)C2=NN=C(C3=CC(C4=NN=C(C5=CC=C(C(C)(C)C)C=C5)O4)=CC=C3)O2

Description

1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene features a rigid, electron-deficient core flanked by bulky tert-butyl aryl groups, enhancing solubility and thermal stability. This molecular architecture enables efficient charge transport in organic semiconductors, particularly in solution-processed OLEDs and OFETs. The extended conjugation and strong dipole moment support high photoluminescence quantum yield and balanced hole-electron injection.

Application

1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene serves as a robust, bench-stable building block for constructing functionalized aromatic scaffolds. Its dual [1,3,4]oxadiazole moieties confer high thermal stability and excellent electron-withdrawing character, enabling efficient incorporation into conjugated systems. The tert-butyl substituents enhance solubility and reduce aggregation, facilitating purification and handling in multi-step syntheses. Functions effectively in transition-metal-catalyzed couplings and serves as a versatile precursor in the development of advanced organic materials and heterocyclic architectures.

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 77.84
LogP 7.7156
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 4

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1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene

CAS No. 138372-67-5

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