Cycloheptanone, 2,5,5-trimethyl-

Base Information

• Chemical Name: Cycloheptanone, 2,5,5-trimethyl-
• CAS No.: 95242-32-3
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• DSSTox Substance ID: DTXSID00436608
• Nikkaji Number: J1.829.287D

Synonyms:Cycloheptanone, 2,5,5-trimethyl-;95242-32-3;2,5,5-Trimethylcycloheptanone;2,5,5-trimethylcyclo-heptanone;DTXSID00436608

Chemical Property of Cycloheptanone, 2,5,5-trimethyl-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CCC1=O)(C)C

Technology Process of Cycloheptanone, 2,5,5-trimethyl-

There total 3 articles about Cycloheptanone, 2,5,5-trimethyl- 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: 45.2%

1,4,4-trimethyl-8-oxabicyclo<5.1.0>octane (108440-43-3) → 2,5,5-trimethylcycloheptanone (95242-32-3) + 1,4,4-trimethylcyclohexanecarbaldehyde (140423-42-3) + 1,5,5-trimethyl-2-cycloheptenol + 5,5-dimethyl-2-methylenecycloheptanol (140423-43-4)

Guidance literature:

With rhenium(VII) oxide; at 150 ℃; for 0.333333h; Further byproducts given;

Reference yield: 45.0%

1,4,4-trimethyl-8-oxabicyclo<5.1.0>octane (108440-43-3) → 2,5,5-trimethylcycloheptanone (95242-32-3) + 1,4,4-trimethyl-1-hydroxymethylcyclohexane (140423-44-5) + 1,4,4-trimethylcyclohexanecarbaldehyde (140423-42-3) + 5,5-dimethyl-2-methylenecycloheptanol (140423-43-4)

Guidance literature:

With rhenium(VII) oxide; at 150 ℃; for 1h; Further byproducts given;

Reference yield:

(+/-)-cis-caran-trans-4-ol (4017-88-3,4017-89-4,4017-93-0,4089-03-6,13494-16-1,14727-72-1,16725-98-7,38748-96-8,52153-60-3,52194-69-1,52486-23-4,54750-08-2,54750-09-3,91422-61-6) → methyl-2 isopropyl-5 cyclohexanone (499-70-7,3901-91-5,5206-83-7,7065-48-7,13163-73-0,13163-74-1,59471-80-6,116562-19-7,127911-15-3) + cis-carane-4-one (4176-01-6,4176-04-9,13124-69-1,24278-58-8,43124-59-0,43124-60-3,52153-58-9,135559-92-1) + methyl-2 isopropyl-5 cyclohexanone (499-70-7,3901-91-5,5206-83-7,7065-48-7,13163-73-0,13163-74-1,59471-80-6,116562-19-7,127911-15-3) + 2,5,5-trimethylcycloheptanone (95242-32-3)

Guidance literature:

carbon-copper; at 320 ℃; Title compound not separated from byproducts;

upstream raw materials:

1,4,4-trimethyl-8-oxabicyclo<5.1.0>octane

(+/-)-cis-caran-trans-4-ol

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