3,5-Dichlorophenyl acetate

Base Information

• Chemical Name: 3,5-Dichlorophenyl acetate
• CAS No.: 61925-86-8
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.03804
• Hs Code.: 2915390090
• NSC Number: 83317
• DSSTox Substance ID: DTXSID10977476
• Nikkaji Number: J47.480K
• Wikidata: Q63392691
• Mol file: 61925-86-8.mol

Synonyms:3,5-Dichlorophenyl acetate;(3,5-dichlorophenyl) acetate;61925-86-8;Phenol, 3,5-dichloro-, acetate;3,5-Dichlorophenol acetate;NSC83317;NCIOpen2_004553;3,5-Dichlorophenyl acetate #;SCHEMBL4797077;DTXSID10977476;DPHLEWZTIXLUGZ-UHFFFAOYSA-N;NSC 83317;NSC-83317;Acetic acid, 3,5-dichlorophenyl ester;Q63392691

Chemical Property of 3,5-Dichlorophenyl acetate

Chemical Property:

• Vapor Pressure: 0.00486mmHg at 25°C
• Boiling Point: 276.2°C at 760 mmHg
• Flash Point: 119.7°C
• PSA: 26.30000
• Density: 1.358g/cm³
• LogP: 2.91870
• XLogP3: 3.2
• 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

3,5-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=CC(=CC(=C1)Cl)Cl

Technology Process of 3,5-Dichlorophenyl acetate

There total 6 articles about 3,5-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: 98.0%

3,5-dichlorophenol (591-35-5) + acetic anhydride (108-24-7) → 3,5-dichlorophenol acetate (61925-86-8)

Guidance literature:

With silver trifluoromethanesulfonate; at 60 ℃; for 0.05h; neat (no solvent);

DOI:10.1055/s-0030-1259999

Reference yield: 97.0%

3,5-dichlorophenol (591-35-5) + acetyl chloride (75-36-5) → 3,5-dichlorophenol acetate (61925-86-8)

Guidance literature:

In pyridine; at 20 ℃; for 16h;

DOI:10.1007/s00706-007-0676-4

Reference yield:

2-(diacetoxyiodo)mesitylene (33035-41-5) + 1,3-Dichlorobenzene (541-73-1) → 1,3-dichloro-4-acetoxybenzene (6341-97-5) + 3,5-dichlorophenol acetate (61925-86-8)

Guidance literature:

With acridine; palladium diacetate; In acetic anhydride; acetic acid; at 100 ℃; for 30h; Reagent/catalyst; Overall yield = 42 %; Overall yield = 101.5 mg;

DOI:10.1021/ol4024248

upstream raw materials:

3,4-dinitro-phenyl-acetate

3,5-dichlorophenoxide

4-nitrophenol acetate

3,5-dichlorophenol

Refernces

• 1、 Das, Rima,Chakraborty, Debashis. "Silver triflate catalyzed acetylation of alcohols, thiols, phenols, and amines". experimental part. p. 1621 - 1625. Retrieved 2011/06/25.
• 2、 Stefanidis, Dimitrios,Cho, Sayeon,Dhe-Paganon, Sirano,Jencks, William P.. "Structure-reactivity correlations for reactions of substituted phenolate anions with acetate and formate esters". . p. 1650 - 1656. Retrieved 2007/10/02.