4-(4-Nitrophenyl)butyric acid

Base Information

• Chemical Name: 4-(4-Nitrophenyl)butyric acid
• CAS No.: 5600-62-4
• Molecular Formula: C10H11 N O4
• Molecular Weight: 209.202
• Hs Code.: 2916399090
• European Community (EC) Number: 227-019-9
• NSC Number: 78455
• DSSTox Substance ID: DTXSID10204572
• Nikkaji Number: J221F
• Wikidata: Q72495313
• ChEMBL ID: CHEMBL2437108
• Mol file: 5600-62-4.mol

Synonyms:4-(4-Nitrophenyl)butyric acid;5600-62-4;4-(4-Nitrophenyl)butanoic acid;4-(4-Nitro-phenyl)-butyric acid;4-(p-Nitrophenyl)butyric acid;EINECS 227-019-9;.gamma.-(p-Nitrophenyl)butyric acid;4-{4-nitrophenyl}butanoic acid;Benzenebutanoic acid, 4-nitro-;4-Nitrobenzenebutanoic acid;4-(4-Nitrophenyl)butyricacid;NSC78455;4-Nitrobenzenebutyric acid;4-Nitro-benzenebutanoic acid;Oprea1_361179;SCHEMBL135651;AMY838;CHEMBL2437108;DTXSID10204572;4-(4-Nitrophenyl)butanoic acid #;MFCD00007387;NSC 78455;NSC-78455;AKOS006039054;4-(4-Nitrophenyl)butyric acid, 98%;CS-W015167;AS-11722;FT-0616660;FT-0616661;A18908;AE-641/04187024

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

Chemical Property:

• Appearance/Colour: slightly yellow
• Vapor Pressure: 6.59E-07mmHg at 25°C
• Melting Point: 90-93 °C(lit.)
• Boiling Point: 393.8 °C at 760 mmHg
• PKA: 4.68±0.10(Predicted)
• Flash Point: 172.3 °C
• PSA: 83.12000
• Density: 1.293 g/cm³
• LogP: 2.52530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

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

4-(4-Nitrophenyl)butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-]

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

There total 9 articles about 4-(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: 84.0%

4-(4-aminophenyl)butyric Acid (15118-60-2) → 4-(4-nitrophenyl)butanoic acid (5600-62-4)

Guidance literature:

With Oxone; sodium hydroxide; In water; acetone; at 8 ℃; buffer (NaHCO₃);

DOI:10.1016/0040-4039(95)00281-G

Reference yield: 22.0%

4-Phenylbutyric acid (1821-12-1) → 4-(2-nitrophenyl)-n-butyric acid (67857-97-0) + 4-(4-nitrophenyl)butanoic acid (5600-62-4)

Guidance literature:

With nitric acid; for 6h; Ambient temperature;

DOI:10.1002/jps.2600770218

Reference yield:

4-Phenylbutyric acid (1821-12-1) → 4-(4-nitrophenyl)butanoic acid (5600-62-4)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; at 38 ℃;

upstream raw materials:

4-Phenylbutyric acid

4-(4-aminophenyl)butyric Acid

acetic acid

acetic anhydride

Downstream raw materials:

methyl 4-(4-nitrophenyl)butanoate

d,l-2-bromo-4-(4-nitrophenyl)butanoic acid methyl ester

4-(4-nitro-phenyl)-butyric acid isopropyl ester

d,l-2-bromo-4-(4-nitrophenyl)butanoic acid isopropyl ester

Refernces

• 1、 Webb, Kevin S.,Seneviratne, Viran. "A Mild Oxidation of Aromatic Amines". . p. 2377 - 2378. Retrieved 2007/10/02.