P-NITROPHENYL BUTYRATE

Base Information

• Chemical Name: P-NITROPHENYL BUTYRATE
• CAS No.: 2635-84-9
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 29156000
• European Community (EC) Number: 628-908-8
• NSC Number: 6867
• UNII: 42RWS6BQC4
• DSSTox Substance ID: DTXSID80180955
• Nikkaji Number: J101.813B
• Wikidata: Q27158755
• ChEMBL ID: CHEMBL591439
• Mol file: 2635-84-9.mol

Synonyms:4-Nitrophenyl butanoate;Butanoic acid p-nitrophenyl ester;(4-Nitrophenyl) butanoate;4-Nitrophenyl butyrate;Butanoic acid,4-nitrophenyl ester (9CI);Butyric acid,p-nitrophenyl ester;Butyric acid, p-nitrophenyl ester (8CI);p-Nitrophenol butyrate;p-Nitrophenyl butyrate;

Chemical Property of P-NITROPHENYL BUTYRATE

Chemical Property:

• Appearance/Colour: Clear light brown liquid
• Vapor Pressure: 0.000266mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 323.2 °C at 760 mmHg
• Flash Point: 144.8 °C
• PSA: 72.12000
• Density: 1.216 g/cm³
• LogP: 2.82350
• Storage Temp.: 2-8°C
• Solubility.: chloroform: 0.1 g/mL, clear, faintly yellow
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

4-Nitrophenyl butyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: A probe for lipase activity. 4-Nitrophenyl butyrate is a substrate for esterase, and lipase enzyme. Hydrolysis of 4-nitrophenyl butyrate by these enzymes releases the chromophore, 4-nitrophenolate which is spectrophotometrically analysed at 415 nm.

Technology Process of P-NITROPHENYL BUTYRATE

There total 22 articles about P-NITROPHENYL BUTYRATE 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: 99.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + butyryl chloride (141-75-3) → p-nitrophenyl butyrate (2635-84-9)

Guidance literature:

With pyridine; In dichloromethane; at 0 ℃; for 3h;

DOI:10.1016/S0968-0896(02)00309-7

Reference yield: 92.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + butyric acid (107-92-6) → p-nitrophenyl butyrate (2635-84-9)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere;

DOI:10.1039/d1ob00798j

Reference yield: 52.0%

butanoic acid anhydride (106-31-0) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → p-nitrophenyl butyrate (2635-84-9)

Guidance literature:

In 1,4-dioxane; pyridine; for 2h; Ambient temperature;

DOI:10.1002/jps.2600710713

upstream raw materials:

4-nitro-phenol

butyryl chloride

butanoic acid anhydride

butyric acid

Downstream raw materials:

4-nitro-phenol

N-sec-butyl-butyramide

p-nitrophenolate

ethyl p-aminophenyl acetate