2-(4-Nitrophenyl)butyric acid

Base Information

• Chemical Name: 2-(4-Nitrophenyl)butyric acid
• CAS No.: 7463-53-8
• Molecular Formula: C₁₀H₁₁NO₄
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• European Community (EC) Number: 231-256-3
• NSC Number: 404387,68215,23310
• DSSTox Substance ID: DTXSID701033429
• Nikkaji Number: J77.611D
• Mol file: 7463-53-8.mol

Synonyms:2-(4-Nitrophenyl)butyric acid;7463-53-8;2-(4-nitrophenyl)butanoic acid;2-(p-Nitrophenyl)butyric acid;NSC 68215;EINECS 231-256-3;alpha-Ethyl-4-nitrobenzeneacetic acid;NSC 404387;Benzeneacetic acid, alpha-ethyl-4-nitro-;BUTYRIC ACID, 2-(p-NITROPHENYL)-;46406-87-5;4-nitrophenylbutyric acid;4-nitrophenylbutanoic acid;p-nitrophenyl-butanoic acid;SCHEMBL135650;2-(p-Nitrophenyl)butanoic acid;2-(4'-Nitrophenyl)butyric acid;2-(4-Nitro-phenyl)-butyric acid;DTXSID701033429;2-(4-nitrophenyl)-n-butyric acid;BCP33367;BORONSUBPHTHALOCYANINECHLORIDE;NSC23310;NSC68215;MFCD00156935;NSC-23310;NSC-68215;NSC404387;(S)-2-(4-Nitrophenyl)butanoic Acid;AKOS015891288;NSC-404387;AS-10801;LS-48129;SY297828;Benzeneacetic acid, .alpha.-ethyl-4-nitro;FT-0636494;D97527;Benzeneacetic acid, alpha-ethyl-4-nitro- (9CI);EN300-1868949;A838182;2-(4-nitrophenyl)butyric acid

Chemical Property of 2-(4-Nitrophenyl)butyric acid

Chemical Property:

• Boiling Point: 371.2 °C at 760 mmHg
• Flash Point: 161.6 °C
• PSA: 83.12000
• Density: 1.287g/cm³
• LogP: 2.69620
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-NITROPHENYL)BUTYRIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
• Uses: 2-(4-Nitrophenyl)butyric acid is a key intermediate in the synthesis of indobufen, a new generation of anti-platelet aggregation agents.

Technology Process of 2-(4-Nitrophenyl)butyric acid

There total 12 articles about 2-(4-Nitrophenyl)butyric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

2-(4-nitrophenyl)butanonitrile (94814-82-1) → 2RS-(4-nitrophenyl)butanoic acid (7463-53-8,46406-87-5)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; water; at 100 - 105 ℃; for 24h;

DOI:10.1016/j.tetlet.2010.07.131

Reference yield: 69.0%

diethyl 2-ethyl-2-(4-nitrophenyl)malonate (83397-44-8) → 2RS-(4-nitrophenyl)butanoic acid (7463-53-8,46406-87-5)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield:

2-Phenylbutyric acid (90-27-7) → 2RS-(4-nitrophenyl)butanoic acid (7463-53-8,46406-87-5)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01334a034 DOI:10.1021/ja01221a029

upstream raw materials:

2,4,6-trimethyl-pyridine

2-diazo-1-(4-nitro-phenyl)-butan-1-one

benzyl alcohol

2-Phenylbutyric acid

Downstream raw materials:

1-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-butan-1-one

2-(4-aminophenyl)butanoic acid

methyl 2-(4-nitrophenyl)butanoate

4-nitro-benzoic acid

Refernces

• 1、 Ramachary, Dhevalapally B.,Shiva Prasad. "Direct amino acid-catalyzed cascade reductive alkylation of arylacetonitriles: High-yielding synthesis of ibuprofen analogs". scheme or table. p. 5246 - 5251. Retrieved 2010/11/03.
• 2、 -. "OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE". . . Retrieved 2008/06/13.