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2-(4-NITROPHENYL)BUTYRIC ACID

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2-(4-NITROPHENYL)BUTYRIC ACID Basic information

Product Name:
2-(4-NITROPHENYL)BUTYRIC ACID
Synonyms:
  • 2-(p-nitrophenyl)-butyricaci
  • 2-(p-nitrophenyl)butyricacid
  • alpha-ethyl-4-nitro-benzeneaceticaci
  • alpha-ethyl-4-nitrobenzeneaceticacid
  • ALPHA-ETHYL-4-NITROPHENYLACETIC ACID
  • A-ETHYL-4-NITROBENZONIC ACID
  • 2-(4-NITROPHENYL)BUTYRIC ACID
  • α-(p-Nitro-phenyl)butyric acid
CAS:
7463-53-8
MF:
C10H11NO4
MW:
209.2
EINECS:
231-256-3
Mol File:
7463-53-8.mol
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2-(4-NITROPHENYL)BUTYRIC ACID Chemical Properties

Melting point:
122-123 °C
Boiling point:
371.2±25.0 °C(Predicted)
Density 
1.287±0.06 g/cm3(Predicted)
storage temp. 
Storage temp. 2-8°C
pka
3.91±0.10(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C10H11NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey
XBGNOMBPRQVJSR-UHFFFAOYSA-N
SMILES
C(O)(=O)C(C1=CC=C([N+]([O-])=O)C=C1)CC
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2-(4-NITROPHENYL)BUTYRIC ACID Usage And Synthesis

Chemical Properties

Crystallizes. Melting point 121-122°C.

Uses

2-(4-Nitrophenyl)butyric acid is a key intermediate in the synthesis of indobufen, a new generation of anti-platelet aggregation agents.

Synthesis

Synthesis of 2-(4-nitrophenyl)butyric acid, using α-phenylbutyronitrile as the starting material, to produce 2-(4-nitrophenyl)butyronitrile by nitration reaction, and then by hydrolysis reaction to produce 2-(4-nitrophenyl)butyric acid.

2-(4-NITROPHENYL)BUTYRIC ACID Preparation Products And Raw materials

Raw materials

2-(4-NITROPHENYL)BUTYRIC ACIDSupplier

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