4-(2-Fluoro-4-Nitrophenyl)Thiomorpholine

Name: 4-(2-Fluoro-4-Nitrophenyl)Thiomorpholine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 168828-70-4
Cat. No. CS-0038715
Purity≥98%
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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4-(2-Fluoro-4-Nitrophenyl)Thiomorpholine|CS-0038715

Structure of 168828-70-4

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General Information

CAS No. 168828-70-4
Cat. No. CS-0038715
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁FN₂O₂S
Molecular Weight 242.27
Synonym(s) 3-fluoro-4-thiomorpholinonitrobenzene
SMILES C1=CC(=C(C=C1[N+](=O)[O-])F)N2CCSCC2

Description

4-(2-Fluoro-4-nitrophenyl)thiomorpholine features a fluorinated nitroaryl moiety integrated into a saturated heterocyclic thiomorpholine scaffold. This combination delivers enhanced reactivity in cross-coupling processes, with the electron-deficient aryl group enabling efficient palladium-mediated transformations. The molecule exhibits bench-stable handling characteristics and improved solubility in common organic solvents, facilitating use in synthetic workflows.

Application

4-(2-Fluoro-4-nitrophenyl)thiomorpholine serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically active heterocycles. Its electron-deficient aryl moiety facilitates nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The thiomorpholine scaffold offers favorable solubility and metabolic stability, while the fluorine and nitro groups enhance target binding affinity and modulate electronic properties. This compound exhibits bench stability and compatibility with standard purification protocols, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

Route1
- In-stock
  
  123-90-0
- In-stock
  
  369-34-6
- ~98%
- In-stock
  
  168828-70-4
References
- SMITHKLINE BEECHAM CORPORATION Patent: WO2009/32667 A1, 2009 ; Location in patent: Page/Page column 109 ; WO 2009/032667 A1
Route2
- In-stock
  
  123-90-0
- 544-00-3
- In-stock
  
  369-34-6
- ~98%
- In-stock
  
  168828-70-4
References
- Pharmacia and Upjohn Company Patent: US5688792 A1, 1997 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 46.38
LogP 2.2871
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Thiomorpholine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(2-Fluoro-4-Nitrophenyl)Thiomorpholine

CAS No. 168828-70-4

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