2-(2,4,6-Trimethylphenyl)propan-2-ol

Base Information

• Chemical Name: 2-(2,4,6-Trimethylphenyl)propan-2-ol
• CAS No.: 59660-68-3
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• NSC Number: 159282
• DSSTox Substance ID: DTXSID70975059
• Nikkaji Number: J1.177.014B
• Wikidata: Q82959556

Synonyms:2-mesitylpropan-2-ol;2-(2,4,6-trimethylphenyl)propan-2-ol;59660-68-3;2-mesityl-2-propanol;2-(2,4,6-Trimethylphenyl)-2-propanol;NSC159282;SCHEMBL1109746;DTXSID70975059;JFDXATFYWOLYQQ-UHFFFAOYSA-N;AKOS006330854;NSC-159282;2-(2,4,6-trimethyl-phenyl)-propan-2-ol;AE-562/43287152

Chemical Property of 2-(2,4,6-Trimethylphenyl)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.0375mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 230.1 °C at 760 mmHg
• Flash Point: 99.8 °C
• Density: 0.958 g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2,4,6-Trimethylphenyl)propan-2-ol

There total 12 articles about 2-(2,4,6-Trimethylphenyl)propan-2-ol 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: 77.0%

2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3) + methylmagnesium chloride (676-58-4) → α,α,2,4,6-pentamethylbenzenemethanol (59660-68-3)

Guidance literature:

2,4,6-Trimethylacetophenone; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

methylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.oprd.1c00191

Reference yield: 49.9%

methyllithium (917-54-4) + mesitylene-2-carboxylic acid chloride (938-18-1) → 2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3) + α,α,2,4,6-pentamethylbenzenemethanol (59660-68-3) + 1,3‐bis(2,4,6‐trimethylphenyl)propane‐1,3‐dione (6477-29-8)

Guidance literature:

In diethyl ether; toluene; at 0 ℃; for 72h; Inert atmosphere;

DOI:10.3390/molecules17066424

Reference yield: 35.0%

acetone (67-64-1) + Trimesitylvanadium-Tetrahydrofuran → 1,3,5-trimethyl-2-(prop-1-en-1-yl)benzene (41736-97-4) + α,α,2,4,6-pentamethylbenzenemethanol (59660-68-3)

Guidance literature:

In diethyl ether; at -78 - 20 ℃; for 8h;

DOI:10.1016/S0022-328X(00)99479-8

upstream raw materials:

mesityllithium

2,4,6-Trimethylacetophenone

tetramethyl zirconium

acetone

Downstream raw materials:

2-(2,4,6-trimethylphenyl)-2-propyl 4-methoxybenzoate

2-(3-bromoprop-1-en-2-yl)-1,3,5-trimethylbenzene

2-((Z)-2-Bromo-1-methyl-vinyl)-1,3,5-trimethyl-benzene

1-isopropyl-2,4,6-trimethylbenzene

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