1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-

Base Information

• Chemical Name: 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-
• CAS No.: 61565-12-6
• Molecular Formula: C14H20O3
• Molecular Weight: 236.311
• DSSTox Substance ID: DTXSID20460203
• Nikkaji Number: J3.220.445G
• Mol file: 61565-12-6.mol

Synonyms:61565-12-6;1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-;DTXSID20460203

Chemical Property of 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-

Chemical Property:

• PSA: 51.21000
• LogP: 2.34210
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C=C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C

Technology Process of 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-

There total 10 articles about 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylpropylidene)- 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: 95.0%

5-hydroxy-2,2,6,6-tetramethyl-cyclohex-4-ene-1,3-dione (77744-52-6) + isobutyraldehyde (78-84-2) → 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-cyclohexane-1,3,5-trione (61565-12-6)

Guidance literature:

With morpholin-4-ium 2,2,2-trifluoroacetate; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b02159

Reference yield: 91.0%

5-hydroxy-4-(isobutyryl)-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione (3467-13-8) → 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-cyclohexane-1,3,5-trione (61565-12-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -78 - 25 ℃; for 0.333333h; Solvent; Temperature; Reagent/catalyst;

Reference yield: 91.0%

6-isobutyryl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione (22595-45-5) → 2,2,4,4-tetramethyl-6-(2-methylpropylidene)-cyclohexane-1,3,5-trione (61565-12-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -78 ℃;

DOI:10.1039/c7sc04672c

upstream raw materials:

3-hydroxy-2-(2-methyl-1-piperidino)propyl-4,4,6,6-tetramethylcyclohex-2-ene-1,5-dione

2,2,4,4-Tetramethyl-6-(2-methyl-1-pyrrolidin-1-yl-propyl)-cyclohexane-1,3,5-trione

syncarpic acid

5-hydroxy-2,2,6,6-tetramethyl-cyclohex-4-ene-1,3-dione

Downstream raw materials:

5-hydroxy-2,2,6,6-tetramethyl-4-(2-methylprop-1-en-yl)cyclohex-4-ene-1,3-dione

5-hydroxy-2,2,6,6-tetramethyl-4-(2-methyl-1-(2,4,6-trihydroxy-3-(1-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxocyclohex-1-enyl)-2-methylpropyl)-5-isobutyrylphenyl)propyl)cyclohex-4-ene-1,3-dione

myrtucommulone A

5-hydroxy-2,2,6,6-tetramethyl-4-(2-methyl-1-(2,4,6-trihydroxy-3-isobutyrylphenyl)propyl)cyclohex-4-ene-1,3-dione