ChemicalBook--->CAS DataBase List--->7463-53-8

7463-53-8

7463-53-8 Structure

7463-53-8 Structure
IdentificationBack Directory
[Name]

2-(4-NITROPHENYL)BUTYRIC ACID
[CAS]

7463-53-8
[Synonyms]

2-(p-nitrophenyl)-butyricaci
2-(p-nitrophenyl)butyricacid
A-ETHYL-4-NITROBENZONIC ACID
2-(4-NITROPHENYL)BUTYRIC ACID
2-(4-NITROPLENYL)BUTYRIC ACID
2-(p-Nitrophenyl)butanoic acid
2-(4-nitrophenyl)butanoic acid
α-(p-Nitro-phenyl)butyric acid
alpha-ethyl-4-nitro-benzeneaceticaci
alpha-ethyl-4-nitrobenzeneaceticacid
ALPHA-ETHYL-4-NITROPHENYLACETIC ACID
[EINECS(EC#)]

231-256-3
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD00156935
[MOL File]

7463-53-8.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sulfuric acid-->Dichloromethane-->Acetic acid-->Nitric acid-->Bromoethane-->Benzeneacetonitrile-->2-Phenylbutyric acid
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(4-NITROPHENYL)BUTYRIC ACID(7463-53-8)1HNMR
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