1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one)

Name: 1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one)
Brand: ChemScene
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CAS No. 87533-49-1
Cat. No. CS-0179566
Purity≥97%
MDL No.MFCD03423784

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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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1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one)|CS-0179566

Structure of 87533-49-1

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Description

This bis-ketone features a 1,3-phenylene linker with para-amino substituents, enabling dual conjugation and enhanced solubility in polar solvents. The electron-rich amine groups facilitate coupling reactions, while the acetyl moieties offer stable anchoring points for polymer synthesis or metal coordination.

Application

1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one) serves as a versatile bifunctional building block for the synthesis of conjugated aromatic systems and heterocyclic scaffolds. The ortho-amino and ketone functionalities enable sequential functionalization via amidation, reductive amination, or condensation reactions. Its bench-stable crystalline form facilitates handling and purification, while the complementary reactivity supports efficient integration into multi-step synthetic sequences for advanced materials and pharmaceutical intermediates.

General Information

CAS No. 87533-49-1
Cat. No. CS-0179566
Purity ≥97%
MDL No. MFCD03423784
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁NO₂
Molecular Weight 177.20
Synonym(s) Ethanone, 1,1'-(5-amino-1,3-phenylene)bis-
SMILES NC1=CC(C(C)=O)=CC(C(C)=O)=C1

Computational Chemistry Data

TPSA 60.16
LogP 1.674
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one)

CAS No. 87533-49-1

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