4-Nitrophenyl propionate

Base Information

• Chemical Name: 4-Nitrophenyl propionate
• CAS No.: 1956-06-5
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 217-795-7
• NSC Number: 404316
• UNII: T3RH2PH4EU
• DSSTox Substance ID: DTXSID50173233
• Nikkaji Number: J199.780G
• Wikidata: Q83043306
• ChEMBL ID: CHEMBL3272673
• Mol file: 1956-06-5.mol

Synonyms:4-nitrophenyl propionate

Chemical Property of 4-Nitrophenyl propionate

Chemical Property:

• Vapor Pressure: 0.000629mmHg at 25°C
• Melting Point: 62-64 °C
• Boiling Point: 309.7°Cat760mmHg
• Flash Point: 144.6°C
• PSA: 72.12000
• Density: 1.255g/cm³
• LogP: 2.43340
• Storage Temp.: Store at -20
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

4-NitrophenylPropionate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 4-Nitrophenyl propionate

There total 10 articles about 4-Nitrophenyl propionate 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) + propionic acid anhydride (123-62-6) → 4-nitrophenyl propionate (1956-06-5)

Guidance literature:

zinc(II) perchlorate; In diethyl ether; for 1h; Heating;

DOI:10.1002/ejoc.200300458

Reference yield: 93.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + propionyl chloride (79-03-8) → 4-nitrophenyl propionate (1956-06-5)

Guidance literature:

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

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

Reference yield: 87.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + propionic acid (802294-64-0,79-09-4) → 4-nitrophenyl propionate (1956-06-5)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1016/j.tet.2009.07.048

upstream raw materials:

4-nitro-phenol

propionyl chloride

propionic acid anhydride

propionic acid

Downstream raw materials:

4-nitro-phenol

N-tert-butylpropionamide

N-butylpropionamide

sodium proprionate

Refernces

• 1、 Zahn,Foelsche. "Reaction of nitrophenylpropionate with N alpha-acetyllysine methylamide". . p. 215 - 220. Retrieved 1966.
• 2、 Jeong, Eun Jeong,Lee, In-Sook Han. "How much does the hybridization of a carbon atom affect the transmission of the substituent effect on the chemical shift?". . p. 295 - 299. Retrieved 2015/03/03.
• 3、 Zhang, Di,Pan, Changduo. "Ruthenium/NHC-catalyzed tandem benzylic oxidation/oxidative esterification of benzylic alcohols with phenols". experimental part. p. 41 - 45. Retrieved 2012/06/18.