2-Methoxyphenyl acetate

Base Information

• Chemical Name: 2-Methoxyphenyl acetate
• CAS No.: 613-70-7
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 29153900
• European Community (EC) Number: 210-350-8
• NSC Number: 3831
• UNII: K5YN7743HC
• DSSTox Substance ID: DTXSID80862289
• Nikkaji Number: J31.560E
• Wikidata: Q27281996
• Metabolomics Workbench ID: 45220
• Mol file: 613-70-7.mol

Synonyms:diarginine-alpha-ketoglutarate;eucol

Chemical Property of 2-Methoxyphenyl acetate

Chemical Property:

• Vapor Pressure: 0.0421mmHg at 25°C
• Melting Point: 31.5°C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 122-124 °C18 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 35.53000
• Density: 1.129 g/mL at 25 °C(lit.)
• LogP: 1.62050
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

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

2-Methoxyphenyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1OC
• Description: Guaiacyl acetate has an odor similar to that of guaiacol. It may be synthesized from guaiacol and excess acetic anhydride in the presence of trace amounts of H2S04.

Technology Process of 2-Methoxyphenyl acetate

There total 41 articles about 2-Methoxyphenyl 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%

2-methoxy-phenol (90-05-1) + acetyl chloride (75-36-5) → 2-methoxyphenyl acetate (613-70-7)

Guidance literature:

Reference yield: 98.0%

vinyl acetate (108-05-4,9003-20-7) + 2-methoxy-phenol (90-05-1) → 2-methoxyphenyl acetate (613-70-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In neat (no solvent); at 70 - 140 ℃; for 0.183333h; Microwave irradiation;

DOI:10.1039/c5nj01436k

Reference yield: 98.0%

Acetyl bromide (506-96-7) + 1-(benzyloxy)-2-methoxybenzene (835-79-0) → 2-methoxyphenyl acetate (613-70-7)

Guidance literature:

With lithium bromide; In dichloromethane; at 30 - 35 ℃; for 6h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo801659g

upstream raw materials:

boric acid tris-(2-methoxy-phenyl ester)

acetic anhydride

2-methoxy-phenol

1-fluoro-2-methoxybenzene

Downstream raw materials:

1-(3-methoxy-4-hydroxyphenyl)ethanone

2-methoxy-5-nitrophenyl acetate

1-acetoxy-2-methoxy-3-nitro-benzene

3-hydroxy-4-methoxyacetophenone

Refernces

• 1、 Hong Nguyen, Thi Anh,Hou, Duen-Ren. "Direct Acetoxylation of Arenes". supporting information. p. 8127 - 8131. Retrieved 2021/08/23.
• 2、 Isogawa, Yukari,Kobayashi, Yuichi,Ogawa, Narihito,Takashima, Yuji,Tsuboi, Atsuki. "Synthesis of a TNF inhibitor, flurbiprofen and an: I -Pr analogue in enantioenriched forms by copper-catalyzed propargylic substitution with Grignard reagents". supporting information. p. 9906 - 9909. Retrieved 2021/12/07.