3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one

Base Information

• Chemical Name: 3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one
• CAS No.: 61394-82-9
• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.339
• DSSTox Substance ID: DTXSID90561115
• Wikidata: Q82444781
• Mol file: 61394-82-9.mol

Synonyms:3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one;61394-82-9;SCHEMBL13543205;DTXSID90561115;AKOS011841558

Chemical Property of 3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one

There total 4 articles about 3,3-Dimethyl-1-(2,4,6-trimethylphenyl)butan-2-one 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: 50.0%

(Z)-3-Hydroxy-4,4-dimethyl-2-(2,4,6-trimethyl-phenyl)-pent-2-enoic acid (126813-12-5) → 1-mesityl-3,3-dimethyl-butan-2-one (61394-82-9)

Guidance literature:

In chloroform-d1; at 25 ℃; for 1440h;

DOI:10.1016/S0040-4039(01)93755-4

Reference yield:

4,4-dimethyl-2-mesitylpent-1-ene-1,3-dione (154613-61-3) → 1-mesityl-3,3-dimethyl-butan-2-one (61394-82-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O

2: 50 percent / CDCl₃ / 1440 h / 25 °C

With water; In chloroform-d1;

DOI:10.1016/S0040-4039(01)93755-4

Reference yield:

1-mesityl-3,3-dimethyl-butane-1,2-diol (855244-06-3) → 1-mesityl-3,3-dimethyl-butan-2-one (61394-82-9)

Guidance literature:

With sulfuric acid;

DOI:10.1080/13504500009470041

upstream raw materials:

1-mesityl-3,3-dimethyl-butane-1,2-diol

(Z)-3-Hydroxy-4,4-dimethyl-2-(2,4,6-trimethyl-phenyl)-pent-2-enoic acid

3,3-dimethyl-butan-2-one

iodomesitylene