Potassium 4-methylbenzoate

Base Information

• Chemical Name: Potassium 4-methylbenzoate
• CAS No.: 16518-25-5
• Molecular Formula: C8H8 O2 . K
• Molecular Weight: 174.241
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00598199
• Nikkaji Number: J162.929H
• Mol file: 16518-25-5.mol

Synonyms:Potassium 4-methylbenzoate;16518-25-5;potassium;4-methylbenzoate;Benzoic acid, 4-methyl-, potassium salt (1:1);Potassium p-toluate;Potassium4-methylbenzoate;SCHEMBL2784875;DTXSID00598199;DKEYEXQVFHUPLU-UHFFFAOYSA-M;AKOS003052758;AKOS015912195;AKOS016005111;A882410

Chemical Property of Potassium 4-methylbenzoate

Chemical Property:

• PSA: 40.13000
• LogP: 0.35850
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.00831095
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

Potassium 4-methylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)[O-].[K+]
• Uses: p-Toluic Acid is the parent compound for Potassium 4-methylbenzoate. p-Toluic Acid (T536125) is used as a reagent in the synthesis of several organic compounds including that of 2-aryl-1,3,4-oxadiazole derivatives which are potential antibacterial agents. Also used in the synthesis of 4-(bromomethyl) benzoic acid.

Technology Process of Potassium 4-methylbenzoate

There total 4 articles about Potassium 4-methylbenzoate 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%

4-methyl-benzoic acid methyl ester (99-75-2) → potassium p-methyl benzoate (16518-25-5)

Guidance literature:

With Triton X-114; potassium thioacetate; at 150 ℃;

DOI:10.1016/j.tetlet.2005.11.048

Reference yield:

p-Toluic acid (99-94-5) → potassium p-methyl benzoate (16518-25-5)

Guidance literature:

With potassium tert-butylate; In ethanol; for 1h;

DOI:10.1002/anie.201208755

Reference yield:

4-Methylbenzyl alcohol (589-18-4) → potassium p-methyl benzoate (16518-25-5)

Guidance literature:

With chloro(η⁶-p-cymene)[2-(2,6-diisopropylphenyl)-5-(1,3-diisopropyl-2,4,6-trioxohexahydropyrimidin-5-yl-κC⁵)imidazo[1,5-a]pyridin-3-ylidene-κC³]ruthenium(II); potassium hydroxide; In dichloromethane; o-xylene; at 150 ℃; Schlenk technique;

DOI:10.1021/acs.organomet.1c00458

upstream raw materials:

4-methyl-benzoic acid methyl ester

p-Toluic acid

4-Methylbenzyl alcohol

Downstream raw materials:

(4-methylbenzoyloxymethyl)trimethoxysilane

1-butoxy-3-methylbenzene

p-Toluic acid

p-methylbenzoic anhydride