3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one

Base Information

• Chemical Name: 3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one
• CAS No.: 89746-01-0
• Molecular Formula: C17H24O
• Molecular Weight: 244.377
• DSSTox Substance ID: DTXSID50528486

Synonyms:89746-01-0;3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one;DTXSID50528486

Chemical Property of 3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 244.182715385
• Heavy Atom Count: 18
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC1CCC(C1)(C)C)C(=O)C2=CC=CC=C2

Technology Process of 3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one

There total 7 articles about 3-(3,3-Dimethylcyclopentyl)-2-methyl-1-phenylpropan-1-one 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: 42.0%

5-(iodomethyl)-5-methyl-1-hexene (77400-57-8) + lithiopropiophenone (72658-01-6) → 1,1,3-trimethylcyclopentane (4516-69-2) + 1-phenyl-2,4,4-trimethyl-7-octen-1-one (89746-00-9) + 3-(3,3-dimethylcyclopentyl)-2-methyl-1-phenyl-1-propanone (89746-01-0) + 1-methylene-3,3-dimethylcyclopentane (78343-76-7) + 1-((2,2-dimethyl-5-hexenyl)oxy)-1-phenyl-1-propene (97467-22-6)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; for 10h; Product distribution; Mechanism; Ambient temperature; other alkyl halides and tosylate, var. solvents, other reaction times, in the presence or absence of light and radical scavenger, also in the presence of 1,4-cyclohexadiene and dicyclohexylphosphine;

DOI:10.1021/jo00218a007

Reference yield:

5-(iodomethyl)-5-methyl-1-hexene (77400-57-8) + propiophenone lithium enolate (57204-88-3) → 5,5-dimethyl-hex-1-ene (7116-86-1) + 1,1,3-trimethylcyclopentane (4516-69-2) + [(E)-1-(2,2-Dimethyl-hex-5-enyloxy)-propenyl]-benzene (97467-22-6) + 3-(3,3-dimethylcyclopentyl)-2-methyl-1-phenyl-1-propanone (89746-01-0)

Guidance literature:

With dicyclohexylphosphane; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 24 ℃; for 4h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(01)91134-7

Reference yield:

5-(iodomethyl)-5-methyl-1-hexene (77400-57-8) + propiophenone lithium enolate (57204-88-3) → 1,1,3-trimethylcyclopentane (4516-69-2) + [(E)-1-(2,2-Dimethyl-hex-5-enyloxy)-propenyl]-benzene (97467-22-6) + 1-phenyl-2,4,4-trimethyl-7-octen-1-one (89746-00-9) + 3-(3,3-dimethylcyclopentyl)-2-methyl-1-phenyl-1-propanone (89746-01-0)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 24 ℃; for 60h; Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(01)91134-7

upstream raw materials:

5-(iodomethyl)-5-methyl-1-hexene

lithiopropiophenone

propiophenone lithium enolate

1-phenyl-propan-1-one

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