4,5-Dimethoxyphthalonitrile

Name: 4,5-Dimethoxyphthalonitrile
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 88946-67-2
Cat. No. CS-0040868
Purity≥97%
MDL No.None

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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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Structure of 88946-67-2

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General Information

CAS No. 88946-67-2
Cat. No. CS-0040868
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈N₂O₂
Molecular Weight 188.18
Synonym(s) OC1802, 4,5-Dimethoxybenzene-1,2-dicarbonitrile
SMILES N#CC1=CC(OC)=C(OC)C=C1C#N

Description

4,5-Dimethoxyphthalonitrile features two methoxy groups flanking a nitrile-substituted aromatic core, delivering enhanced solubility and stability in polar aprotic solvents. This electron-rich scaffold enables efficient coupling reactions in synthetic organic chemistry, particularly in the construction of conjugated polymers and functionalized heterocycles under standard conditions.

Application

4,5-Dimethoxyphthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted heterocycles and pharmaceutical intermediates. Its two nitrile groups and methoxy substituents provide orthogonal reactivity, facilitating selective transformations under mild conditions. The compound exhibits excellent bench stability, simplifies purification, and demonstrates broad functional group tolerance, making it well-suited for use in multi-step synthesis and scale-up applications.

Synthesis

Route1
- In-stock
  
  37895-73-1
- ~58%
- In-stock
  
  88946-67-2
References
- Commissariat a. l'Energie Atomique Patent: US4996311 A1, 1991 ;
Route2
- 557-21-1
- In-stock
  
  37895-73-1
- ~88%
- In-stock
  
  88946-67-2
References
- Iqbal, Zafar; Lyubimtsev, Alexey; Hanack, Michael Synlett, 2008 , # 15 p. 2287 - 2290

Safety Information

Download SDS

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 66.04
LogP 1.44716
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Material Science Covalent Organic Frameworks Nitrile COFs Linkers

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Building Blocks Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

Material Science Polymer/Macromolecule Reagents Covalent Organic Frameworks (COFs) Linkers Linkers (Others)

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4,5-Dimethoxyphthalonitrile

CAS No. 88946-67-2

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