3,3,6-Trimethyl-1-indanone

Base Information

• Chemical Name: 3,3,6-Trimethyl-1-indanone
• CAS No.: 54484-71-8
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• Mol file: 54484-71-8.mol

Synonyms:3,3,6-Trimethyl-indan-1-one;3,3,6-trimethyl-2,3-dihydroinden-1-one;3,3,6-Trimethyl-1-indanon;3,3,6-Trimethyl-indan-1-on;3,3,6-Trimethyl-1-indanone;1H-Inden-1-one,2,3-dihydro-3,3,6-trimethyl;

Chemical Property of 3,3,6-Trimethyl-1-indanone

Chemical Property:

• Melting Point: 42-43℃
• Boiling Point: 283℃
• Flash Point: 118℃
• PSA: 17.07000
• Density: 1.026
• LogP: 2.85900

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3,6-Trimethyl-1-indanone

There total 23 articles about 3,3,6-Trimethyl-1-indanone 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: 88.0%

3-methyl-3-p-tolyl-butyryl chloride (51380-85-9) → 3,3,6-Trimethyl-1-indanone (54484-71-8)

Guidance literature:

With aluminium trichloride; In various solvent(s); at 20 ℃; for 14h;

DOI:10.1081/SCC-100103256

Reference yield: 86.0%

3-methyl-3-p-tolyl-butyric acid (42288-08-4) → 3,3,6-Trimethyl-1-indanone (54484-71-8)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201800834

Reference yield: 85.0%

ethyl 3-methylbut-2-enoate (638-10-8) + 4-methylphenylboronic acid (5720-05-8) → 3,3,6-Trimethyl-1-indanone (54484-71-8)

Guidance literature:

With palladium(II) trifluoroacetate; rac-2-((4R,5R)-4,5-diphenyl-1-tosyl-4,5-dihydro-1H-imidazol-2-yl)pyrimidine; oxygen; In N,N-dimethyl acetamide; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.7b01364

upstream raw materials:

3-methyl-3-p-tolyl-butyric acid

3-methyl-3-p-tolyl-butyryl chloride

3-methyl-3-p-tolyl-butyric acid p-toluidide

7aα-carbomethoxy-2,3,3aα,4,7,7a-hexahydro-3,3,6-trimethyl-7β-(trimethylsilyloxy)inden-1-one

Downstream raw materials:

1,1,3,5,-tetramethyl-indene