Acetate

Base Information

• Chemical Name: Acetate
• CAS No.: 71-50-1
• Molecular Formula: C2H3O2-
• Molecular Weight: 59.0446
• UNII: 569DQM74SC
• DSSTox Substance ID: DTXSID1037694
• Nikkaji Number: J209.470C
• Wikipedia: Acetate,Acetate ion
• Wikidata: Q9154808
• NCI Thesaurus Code: C94719
• Metabolomics Workbench ID: 154916
• Mol file: 71-50-1.mol

Synonyms:Acetate;Acetates;Acetic Acid Esters;Acetic Acids;Acids, Acetic;Esters, Acetic Acid

Chemical Property of Acetate

Chemical Property:

• PSA: 40.13000
• LogP: -1.24380
• Storage Temp.: Store at RT
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 59.013304334
• Heavy Atom Count: 4
• Complexity: 25.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[O-]
• Recent ClinicalTrials: Exploring Novel Uses of Microbiota Therapy for Managing the Side Effects of Psychiatric Pharmaceutical Interventions
• Uses: ACET is a potent and selective GluR5-containing kainate receptor antagonist.

Technology Process of Acetate

There total 121 articles about 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:

N-(4-Nitrophenyl)acetamide (104-04-1) → acetate (71-50-1) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

With sodium hydroxide; In water; at 30.2 ℃; Kinetics; different NaOH concentrations;

DOI:10.1021/jo00329a036

Reference yield:

4-nitrophenol acetate (830-03-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + acetate (71-50-1)

Guidance literature:

With mono-6-deoxy-6-(1,5,9-triazadodecanyl)-β-cyclodextrin; sodium chloride; zinc(II) chloride; In water; acetonitrile; at 25 ℃; pH=7.0; Further Variations:; Reagents; concentration of reagents; Kinetics;

DOI:10.1016/S0968-0896(99)00310-7

Reference yield:

ethanol (64-17-5) → acetate (71-50-1) + hydrogen (1333-74-0)

Guidance literature:

With water; potassium hydroxide; at 60 ℃; Electrolysis;

DOI:10.1016/j.ica.2021.120245

upstream raw materials:

morpholine

N-acetylpyrrole

N-acetylindole

9-acetylcarbazole

Downstream raw materials:

imidazolide

acetic acid

indole nitranion

pentachlorophenolate ion

Refernces

Structure and base catalysed cyclization of methyl (2,6-disubstituted-4-nitrophenylsulphanyl)ethanoates

10.1016/S0022-2860(03)00424-1

The study focuses on the structural and base-catalyzed cyclization behavior of methyl (2,6-disubstituted-4-nitrophenylsulphanyl)ethanoates, which are compounds containing a nitro group and a sulfanylethyl group. The main objective was to understand the conformation of the side chain in these compounds and how it influences their reactivity in base-catalyzed ring closure reactions in solution. The researchers prepared various derivatives of these compounds, such as methyl (2,4,6-trinitrophenylsulfanyl)ethanoate and methyl (2-cyano-4-nitrophenylsulphanyl)ethanoate, among others, to investigate their structural properties and reactivity. These compounds were used to study the kinetics of ring closure and to propose a reaction mechanism involving the formation of a carbanion and its subsequent reaction with the nitro group. The study also aimed to prepare open-chain intermediates and study their structure in detail, which is relevant to the understanding of the kinetics of their base-catalyzed ring closure. The chemicals used in the study served as reactants, intermediates, and products in the cyclization reactions, and their structures were analyzed using techniques such as X-ray crystallography and NMR spectroscopy to draw conclusions about their reactivity and structural preferences.