1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-

Base Information

• Chemical Name: 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-
• CAS No.: 30314-44-4
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• European Community (EC) Number: 665-092-2
• UNII: G82P4HNP7J
• DSSTox Substance ID: DTXSID90184409
• Nikkaji Number: J395.202I
• Wikidata: Q27278912
• Mol file: 30314-44-4.mol

Synonyms:SaH 50-283

Chemical Property of 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-

Chemical Property:

• Vapor Pressure: 0.0172mmHg at 25°C
• Boiling Point: 254.5°Cat760mmHg
• Flash Point: 100.2°C
• PSA: 17.07000
• Density: 0.943g/cm³
• LogP: 3.22380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

2,2,4'-TRIMETHYLPROPIOPHENONE Aldrich ^*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)C(C)(C)C

Technology Process of 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)-

There total 34 articles about 1-Propanone, 2,2-dimethyl-1-(4-methylphenyl)- 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: 90.0%

potassium 3,3-dimethyl-2-oxobutyrate (41394-66-5) + para-bromotoluene (106-38-7) → 2,2-dimethyl-1-(4-methylphenyl)-1-propanone (30314-44-4)

Guidance literature:

With pyridine; 1,10-Phenanthroline; tris-(o-tolyl)phosphine; copper(I) bromide; In 1-methyl-pyrrolidin-2-one; at 170 ℃; for 36h;

DOI:10.1002/anie.200705127

Reference yield: 86.0%

para-bromotoluene (106-38-7) + pivalaldehyde (630-19-3) → 2,2-dimethyl-1-(4-methylphenyl)-1-propanone (30314-44-4)

Guidance literature:

para-bromotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

pivalaldehyde; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

With iodine; potassium carbonate; In tert-butyl alcohol; for 16h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield: 85.0%

C26H23NOSi (1380547-56-7) + tert-Butyl iodide (558-17-8) → 2,2-dimethyl-1-(4-methylphenyl)-1-propanone (30314-44-4)

Guidance literature:

C₂₆H₂₃NOSi; tert-Butyl iodide; With triethyl borane; In hexane; toluene; at 90 ℃; for 4h; Air atmosphere;

With water; sodium hydrogencarbonate; In hexane; toluene;

DOI:10.1016/j.tetlet.2012.05.005

upstream raw materials:

t-butyl(p-tolyl)methyleneamine

tert-butyl isocyanide

para-methylphenylmagnesium bromide

tert-butylmagnesium chloride

Downstream raw materials:

3-Hydroxy-4,4-dimethyl-3-p-tolyl-pentanoic acid ethyl ester

2,2-dimethyl-1-(4-methylphenyl)propan-1-ol

p-methylthiopivalophenone

cis-3,5-di-tert-Butyl-3,5-di-p-tolyl-1,2,4-trithiolane