2-Nitrophenyl acetate

Base Information

• Chemical Name: 2-Nitrophenyl acetate
• CAS No.: 610-69-5
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• Hs Code.: 2915390090
• European Community (EC) Number: 210-233-1
• NSC Number: 5397
• UNII: M2F7VE48GB
• DSSTox Substance ID: DTXSID7060590
• Nikkaji Number: J840K
• Wikidata: Q63409746
• ChEMBL ID: CHEMBL460363
• Mol file: 610-69-5.mol

Synonyms:2-NITROPHENYL ACETATE;610-69-5;o-Nitrophenyl acetate;Acetic acid, 2-nitrophenyl ester;(2-nitrophenyl) acetate;2-Nitrophenol acetate;Acetic acid, o-nitrophenyl ester;2-NITROPHENYLACETATE;Nitrophenyl Acetate;o-NPA;M2F7VE48GB;AI3-21066;NSC 5397;NSC-5397;EINECS 210-233-1;ACETIC ACID 2-NITROPHENYL ESTER;Acetic acid 2-nitrophenyl;UNII-M2F7VE48GB;2-ACETOXYNITROBENZENE;SCHEMBL471777;CHEMBL460363;DTXSID7060590;BDBM22723;NSC5397;MFCD00007095;AKOS003418848;BS-52010;CS-0199181;FT-0613204;D79947;Q63409746

Chemical Property of 2-Nitrophenyl acetate

Chemical Property:

• Vapor Pressure: 0.00528mmHg at 25°C
• Melting Point: 39-41 °C(lit.)
• Refractive Index: 1.548
• Boiling Point: 274.8 °C at 760 mmHg
• Flash Point: 139.8 °C
• PSA: 72.12000
• Density: 1.304 g/cm³
• LogP: 2.04330
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

99.9% ^*data from raw suppliers

2-Nitrophenyl acetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitrophenyl acetate

There total 12 articles about 2-Nitrophenyl acetate 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%

acetic anhydride (108-24-7) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-nitrophenyl acetate (610-69-5)

Guidance literature:

With 4-(N,N-dimethylamino)pyridine based 1,3,5,7-tetraphenyladamantane polymer; In neat (no solvent); at 25 ℃; for 2.5h; Schlenk technique;

DOI:10.1016/j.reactfunctpolym.2016.04.015

Reference yield: 97.0%

acetyl chloride (75-36-5) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-nitrophenyl acetate (610-69-5)

Guidance literature:

zirconium(IV) oxychloride; In 1,2-dichloro-ethane; for 6h; Heating;

DOI:10.1016/j.tetlet.2004.10.164

Reference yield: 82.0%

acetic acid (64-19-7,77671-22-8) + 2-(2-nitro-phenoxy)-tetrahydro-pyran (223136-76-3) → 2-nitrophenyl acetate (610-69-5)

Guidance literature:

bismuth(lll) trifluoromethanesulfonate; for 1.66667h; Heating;

DOI:10.1081/SCC-120006016

upstream raw materials:

acetic anhydride

2-hydroxynitrobenzene

sodium o-nitrophenate

acetyl chloride

Downstream raw materials:

potassium 2-nitrophenoxide

acetic anhydride

4'-hydroxy-3'-nitroacetophenone

2-hydroxynitrobenzene

Refernces

• 1、 Mai, Binh Khanh,Koenigs, Rene M.,Nguyen, Thanh Vinh,Lyons, Demelza J.M.,Empel, Claire,Pace, Domenic P.,Dinh, An H.. "Tropolonate salts as acyl-transfer catalysts under thermal and photochemical conditions: Reaction scope and mechanistic insights". . p. 12596 - 12606. Retrieved 2020/11/18.
• 2、 Chutia, Rituparna,Chetia, Bolin. "Biogenic CuFe2O4 magnetic nanoparticles as a green, reusable and excellent nanocatalyst for acetylation reactions under solvent-free conditions". . p. 15200 - 15206. Retrieved 2018/09/29.