2,6-Dichlorophenyl acetate

Base Information

• Chemical Name: 2,6-Dichlorophenyl acetate
• CAS No.: 28165-71-1
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• DSSTox Substance ID: DTXSID60879299
• Nikkaji Number: J47.476B
• Wikidata: Q63396320
• Mol file: 28165-71-1.mol

Synonyms:2,6-Dichlorophenyl acetate;2,6-Dichlorophenol acetate;28165-71-1;(2,6-dichlorophenyl) acetate;Phenol, 2,6-dichloro-, acetate;Acetic acid, 2,6-dichlorophenyl ester;SCHEMBL3006462;DTXSID60879299;Acetic acid 2,6-dichlorophenyl ester;AKOS015995355;FT-0691472;Q63396320

Chemical Property of 2,6-Dichlorophenyl acetate

Chemical Property:

• Vapor Pressure: 0.00748mmHg at 25°C
• Boiling Point: 268.9°Cat760mmHg
• Flash Point: 115.4°C
• PSA: 26.30000
• Density: 1.358g/cm³
• LogP: 2.91870
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99%min ^*data from raw suppliers

2,6-DICHLOROPHENOL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=CC=C1Cl)Cl

Technology Process of 2,6-Dichlorophenyl acetate

There total 5 articles about 2,6-Dichlorophenyl 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: 96.0%

vinyl acetate (108-05-4,9003-20-7) + 2,6-Dichlorophenol (87-65-0) → 2,6-dichlorophenyl acetate (28165-71-1)

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: 95.0%

2,6-Dichlorophenol (87-65-0) + acetic anhydride (108-24-7) → 2,6-dichlorophenyl acetate (28165-71-1)

Guidance literature:

aluminium dodecatungsten phosphate; at 20 ℃; for 0.25h;

DOI:10.1039/b300775h

Reference yield: 94.1%

2,6-Dichlorophenol (87-65-0) + acetyl chloride (75-36-5) → 2,6-dichlorophenyl acetate (28165-71-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/jacs.5b10504

upstream raw materials:

2,6-Dichlorophenol

acetic anhydride

1-acetyl-3-benzylimidazolium bromide

4-nitrophenol acetate

Downstream raw materials:

3',5'-dichloro-4'-hydroxyacetophenone

(S)-1-phenylethyl acetate

(R)-1-phenethyl acetate

1-(3,5-dichloro-4-methoxyphenyl)ethanone

Refernces

• 1、 Yadav, Anuj K.,Tapia Hernandez, Rodrigo,Chan, Jefferson. "A general strategy to optimize the performance of aza-BODIPY-based probes for enhanced photoacoustic properties". . p. 415 - 441. Retrieved 2021/07/26.
• 2、 Zhou, Effie Y.,Knox, Hailey J.,Liu, Chang,Zhao, Weili,Chan, Jefferson. "A Conformationally Restricted Aza-BODIPY Platform for Stimulus-Responsive Probes with Enhanced Photoacoustic Properties". supporting information. p. 17601 - 17609. Retrieved 2019/11/11.