4'-Cyanoacetanilide

Name: 4'-Cyanoacetanilide
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 35704-19-9
Cat. No. CS-0028724
Purity≥98%
MDL No.MFCD00001814

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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 35704-19-9

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General Information

CAS No. 35704-19-9
Cat. No. CS-0028724
Purity ≥98%
MDL No. MFCD00001814
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂O
Molecular Weight None
Synonym(s) 4-Cyanoacetanilide; 4'-Cyanoacetanilide; N-Acetyl-4-cyanoaniline; NSC 88010; p-Acetamidobenzonitrile; p-Cyanoacetanilide; N-(4-Cyanophenyl)acetamide
SMILES CC(NC1=CC=C(C#N)C=C1)=O

Description

4'-Cyanoacetanilide features a para-cyanoacetanilide motif with a conjugated nitrile group, enabling efficient integration into π-conjugated systems. This bench-stable compound serves as a key building block for functional dyes and organic semiconductors, offering enhanced electron-withdrawing character and favorable solubility in polar aprotic solvents.

Application

4'-Cyanoacetanilide serves as a versatile building block in medicinal chemistry, enabling efficient access to diverse heterocyclic scaffolds through standard functional group transformations. Its cyano and amide functionalities offer orthogonal reactivity, facilitating coupling reactions and cyclizations under mild conditions. The compound exhibits excellent bench stability, ease of purification, and compatibility with common synthetic workflows, making it a reliable intermediate for API development and structural diversification.

Synthesis

Route1
- In-stock
  
  622-50-4
- In-stock
  
  57-13-6
- ~92%
- In-stock
  
  35704-19-9
References
- Zheng, Kui; Liu, Bin; Chen, Shuyou; Chen, Fan Tetrahedron Letters, 2013 , vol. 54, # 38 p. 5250 - 5252
Route2
- 557-21-1
- 539-03-7
- ~90%
- In-stock
  
  35704-19-9
References
- Littke, Adam; Soumeillant, Maxime; Kaltenbach III, Robert F.; Cherney, Robert J.; Tarby, Christine M.; Kiau, Susanne Organic Letters, 2007 , vol. 9, # 9 p. 1711 - 1714
Route3
- 108-24-7
- In-stock
  
  873-74-5
- ~96%
- In-stock
  
  35704-19-9
References
- Fairley; Tidwell; Donkor; Naiman; Ohemeng; Lombardy; Bentley; Cory Journal of Medicinal Chemistry, 1993 , vol. 36, # 12 p. 1746 - 1753

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+H312+H332-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P301+P312-P302+P352-P304+P340-P405-P403+P233-P501

Quality Control

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Computational Chemistry Data

TPSA 52.89
LogP 1.51668
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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4'-Cyanoacetanilide

CAS No. 35704-19-9

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