2-Methoxy-5-nitrophenol acetate

Base Information

• Chemical Name: 2-Methoxy-5-nitrophenol acetate
• CAS No.: 53606-41-0
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• European Community (EC) Number: 811-460-4
• UNII: 2TTB78PEL2
• DSSTox Substance ID: DTXSID80201851
• Nikkaji Number: J1.617.777F
• Wikidata: Q83075083
• Mol file: 53606-41-0.mol

Synonyms:2-methoxy-5-nitrophenyl acetate;53606-41-0;(2-methoxy-5-nitrophenyl) acetate;2-METHOXY-5-NITROPHENOL ACETATE;4-nitroanisole acetate;5-Nitroguaiacol acetate;2TTB78PEL2;2-methoxy-5-nitrophenylacetate;SCHEMBL8977448;DTXSID80201851;2-Methoxy-5-nitrophenol, acetate;Phenol, 2-methoxy-5-nitro-, 1-acetate;Acetic acid 2-methoxy-5-nitrophenyl ester;Phenol, 2-methoxy-5-nitro-, acetate (ester)

Chemical Property of 2-Methoxy-5-nitrophenol acetate

Chemical Property:

• Vapor Pressure: 0.000869mmHg at 25°C
• Boiling Point: 304.5°Cat760mmHg
• Flash Point: 137.3°C
• Density: 1.296g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-5-nitrophenol acetate

There total 9 articles about 2-Methoxy-5-nitrophenol 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: 94.2%

5-nitroguaiacol (636-93-1) → 2-methoxy-5-nitrophenyl acetate (53606-41-0)

Guidance literature:

With dmap; acetic anhydride; triethylamine; In tetrahydrofuran; at 20 ℃;

Reference yield: 76.0%

2-methoxyphenyl acetate (613-70-7) → 2-methoxy-5-nitrophenyl acetate (53606-41-0) + 1-acetoxy-2-methoxy-3-nitro-benzene (89625-34-3)

Guidance literature:

With nitric acid;

Reference yield:

2-methoxyphenyl acetate (613-70-7) → 2-methoxy-5-nitrophenyl acetate (53606-41-0)

Guidance literature:

With nitric acid; acetic acid;

upstream raw materials:

2-methoxyphenyl acetate

nitric acid

acetic acid

tetrachloromethane

Downstream raw materials:

5-nitroguaiacol

5-amino-2-methoxyphenol

5-amino-2-methoxyphenyl acetate

sodium 5-nitroguaiacolate

Refernces

• 1、 -. "Bosutinib 1, 3-propanediether dimer impurity and preparation method thereof". Paragraph 0035-0037; 0058-0060; 0069-0071. . Retrieved 2021/03/30.
• 2、 Mori, Miwako,Ishikura, Minoru,Ikeda, Toshihito,Ban, Yoshio. "TOTAL SYNTHESIS OF SEN-215 BY USE OF PALLADIUM CATALYZED CARBONYLATION". . p. 253 - 256. Retrieved 2007/10/02.