Ethyl 2-(4-fluoro-2-nitrophenyl)acetate

Name: Ethyl 2-(4-fluoro-2-nitrophenyl)acetate
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CAS No. 1209007-72-6
Cat. No. CS-0098739
Purity≥96%
MDL No.MFCD23099463

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 2-(4-fluoro-2-nitrophenyl)acetate|CS-0098739

Structure of 1209007-72-6

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General Information

CAS No. 1209007-72-6
Cat. No. CS-0098739
Purity ≥96%
MDL No. MFCD23099463
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀FNO₄
Molecular Weight 227.19
Synonym(s) Ethyl 4-fluoro-2-nitrophenylacetate
SMILES O=C(OCC)CC1=CC=C(F)C=C1[N+]([O-])=O

Description

Ethyl 2-(4-fluoro-2-nitrophenyl)acetate features a fluorinated aryl core paired with a nitro group at the ortho position, enabling efficient coupling in transition-metal-catalyzed reactions. The ester functionality offers solubility and stability under standard conditions, facilitating its use in synthetic intermediates for pharmaceuticals and agrochemicals.

Application

Ethyl 2-(4-fluoro-2-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. The molecule combines a nitro group for electrophilic functionalization and a fluorine atom for enhanced reactivity in cross-coupling processes. Its ethyl ester functionality facilitates straightforward manipulation via hydrolysis or reduction, while the aromatic scaffold exhibits excellent bench stability and compatibility with standard reaction conditions.

Synthesis

Route1
- 1209007-71-5
- ~74%
- In-stock
  
  1209007-72-6
References
- Bioorganic and Medicinal Chemistry, , vol. 19, # 5 p. 1580 - 1593
Route2
- In-stock
  
  364-74-9
- ~%
- In-stock
  
  1209007-72-6
References
- Bioorganic and Medicinal Chemistry, , vol. 19, # 5 p. 1580 - 1593

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

TPSA 69.44
LogP 1.8395
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 2-(4-fluoro-2-nitrophenyl)acetate

CAS No. 1209007-72-6

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