3-Methyl-3-(4-methylphenyl)pentanedioic acid

Base Information

• Chemical Name: 3-Methyl-3-(4-methylphenyl)pentanedioic acid
• CAS No.: 22892-45-1
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.268
• DSSTox Substance ID: DTXSID90539253
• Wikidata: Q82414959
• Mol file: 22892-45-1.mol

Synonyms:3-Methyl-3-(4-methylphenyl)pentanedioic acid;22892-45-1;DTXSID90539253

Chemical Property of 3-Methyl-3-(4-methylphenyl)pentanedioic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C)(CC(=O)O)CC(=O)O

Technology Process of 3-Methyl-3-(4-methylphenyl)pentanedioic acid

There total 1 articles about 3-Methyl-3-(4-methylphenyl)pentanedioic acid 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:

4-methyl-2,6-dioxo-4-p-tolyl-piperidine-3,5-dicarbonitrile (22892-44-0) → β-(p-Tolyl)-β-methyl-glutarsaeure (22892-45-1)

Guidance literature:

With sulfuric acid; acetic acid; Heating;

Reference yield: 74.0%

β-(p-Tolyl)-β-methyl-glutarsaeure (22892-45-1) + acetic anhydride (108-24-7) → C31H40O7 (90052-90-7)

Guidance literature:

With pyridine;

DOI:10.1016/S0040-4039(01)91548-5

Reference yield: 68.0%

β-(p-Tolyl)-β-methyl-glutarsaeure (22892-45-1) → 3-Methyl-3-(4-methylphenyl)-1,5-pentandiol (90663-08-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; ethanol; for 20h; Ambient temperature;

upstream raw materials:

4-methyl-2,6-dioxo-4-p-tolyl-piperidine-3,5-dicarbonitrile

Downstream raw materials:

3-Methyl-3-(4-methylphenyl)-1,5-pentandiol

C₃₁H₄₀O₇

Z-2,3-Dimethyl-3-(4-methylphenyl)cyclopentanon

3-Methyl-3-(4-methylphenyl)-1,4-pentadien