4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide

Name: 4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 915087-26-2
Cat. No. CS-0330349
Purity≥98%
MDL No.MFCD09909370

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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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4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide|CS-0330349

Structure of 915087-26-2

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General Information

CAS No. 915087-26-2
Cat. No. CS-0330349
Purity ≥98%
MDL No. MFCD09909370
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₄FN₃O
Molecular Weight 247.27
Synonym(s) Benzamide, 4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methyl-
SMILES CNC(C1=C(F)C=C(NC2(C#N)CCC2)C=C1)=O

Description

4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide features a sterically hindered cyclobutyl amine linked to an electron-deficient aryl scaffold, delivering enhanced metabolic stability. The para-fluoro and methyl substituents optimize target engagement, while the nitrile group enables downstream derivatization. This compound serves as a robust pharmacophore in kinase inhibitor design.

Application

4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide serves as a versatile building block in medicinal chemistry, enabling the construction of diverse heterocyclic scaffolds through nucleophilic addition to the nitrile group. The molecule exhibits bench-stable handling, good solubility in common organic solvents, and tolerance to a range of functional groups, facilitating straightforward purification and integration into multi-step synthesis workflows. Its fluorinated aryl core enhances metabolic stability and membrane permeability, making it a practical intermediate for targeted compound libraries.

Synthesis

Route1
- In-stock
  
  915087-25-1
- 1191-95-3
- 143-33-9
- ~90%
- In-stock
  
  915087-26-2
References
- THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: WO2006/124118 A1, 2006 ; Location in patent: Page/Page column 73 ;
Route2
- In-stock
  
  915087-25-1
- 1191-95-3
- 7677-24-9
- ~86%
- In-stock
  
  915087-26-2
References
- TONG, Youzhi Patent: WO2011/29392 A1, 2011 ; Location in patent: Page/Page column 63 ; WO 2011/029392 A1
Route3
- 773837-37-9
- 1191-95-3
- In-stock
  
  73792-06-0
- ~%
- In-stock
  
  915087-26-2
References
- ARAGON PHARMACEUTICALS, INC.; SMITH, Nicholas, D.; BONNEFOUS, Celine; JULIEN, Jackaline, D. Patent: WO2011/103202 A2, 2011 ; Location in patent: Page/Page column 167 ; WO 2011/103202 A2

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 64.92
LogP 2.04348
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Amide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Key Words

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4-((1-Cyanocyclobutyl)amino)-2-fluoro-N-methylbenzamide

CAS No. 915087-26-2

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