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362654

Sigma-Aldrich

2-Fluoro-5-nitrobenzoic acid

98%

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About This Item

Fórmula lineal:
FC6H3(NO2)CO2H
Número de CAS:
7304-32-7
Peso molecular:
185.11
MDL number:
MFCD00134238
UNSPSC Code:
12352100
PubChem Substance ID:
24862326
NACRES:
NA.22

assay

98%

form

solid

mp

142-144 °C (lit.)

SMILES string

OC(=O)c1cc(ccc1F)[N+]([O-])=O

InChI

1S/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)

InChI key

ICXSHFWYCHJILC-UHFFFAOYSA-N

General description

2-Fluoro-5-nitrobenzoic acid is reported to react with an aldehyde, isonitrile and a primary amine tethered to a Boc-protected internal amino or hydroxyl nucleophile, to afford the Ugi product.

Application

2-Fluoro-5-nitrobenzoic acid may be used in the synthesis of:
  • dibenz[b,f]oxazepin-11(10H)-ones, via the nucleophilic aromatic substitution (SNAr) of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH of various 2-aminophenols on solid support
  • synthesis of substituted dibenzazocines on solid support, via SNAr of fluorine in 2-fluoro-5-nitrobenzoic acid with the OH function of the immobilized polysubstituted phenols
  • in the synthesis of oxazepines

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Wim Meutermans et al.
ChemMedChem, 1(11), 1164-1194 (2006-09-20)
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MCC/SN Ar methodology. Part 2: Novel three-step solution phase access to libraries of benzodiazepines.
Tempest P, et al.
Tetrahedron Letters, 44(9), 1947-1950 (2003)
Efficient approach for the diversity-oriented synthesis of macro-heterocycles on solid-support.
Giulianotti M and Nefzi A.
Tetrahedron Letters, 44(28), 5307-5309 (2003)
Solid support synthesis of 2-substituted dibenz [b, f] oxazepin-11 (10H)-ones< i> via</i> S< sub> N</sub> Ar methodology on AMEBA resin.
Ouyang X, et al.
Tetrahedron, 55(10), 2827-2834 (1999)

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