2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-

Base Information

• Chemical Name: 2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-
• CAS No.: 5682-70-2
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID20475059
• Nikkaji Number: J1.144.513F
• Wikidata: Q82305309
• Mol file: 5682-70-2.mol

Synonyms:5682-70-2;2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-;3-tert-butyl-2-cyclopenten-1-one;3-tert-butylcyclopentenone;SCHEMBL401755;DTXSID20475059;FCQMPDWPOPCFOS-UHFFFAOYSA-N;3-tert-Butyl-2-cyclopentene-1-one;AKOS014313261

Chemical Property of 2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 181

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=O)CC1

Technology Process of 2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)-

There total 1 articles about 2-Cyclopenten-1-one, 3-(1,1-dimethylethyl)- 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:

1-(tert-butyl)cyclopent-1-ene (3419-67-8) → 2-tert-butylcyclopent-2-en-1-one (5682-67-7) + 3-tert-butyl-2-cyclopenten-1-one (5682-70-2) + 2-tert-Butyl-cyclopent-2-enyl-hydroperoxide + 3-tert-butyl-cyclopent-2-enyl hydroperoxide

Guidance literature:

With oxygen; [Bu₄N]4W₁₀O₃₂; In acetonitrile; at 5 - 10 ℃; for 0.25h; Further byproducts given. Title compound not separated from byproducts; Irradiation;

DOI:10.1055/s-2004-832803

Reference yield: 67.0%

3-tert-butyl-2-cyclopenten-1-one (5682-70-2) + 3-methoxy-benzaldehyde (591-31-1) + 3-methyl-5-isoxazolone (1517-96-0) → (1'R,2'R,3'S,3a'S,6a'S)-6'-(tert-butyl)-1',3'-bis(3-methoxyphenyl)-3-methyl-3',3a'-dihydro-1'H,5H-spiro[isoxazole-4,2'-pentalene]-4',5(6a'H)-dione

Guidance literature:

With 2-hydroxy-p-toluic acid; C₂₃H₃₁N₃; In toluene; at 50 ℃; for 72h; stereoselective reaction; Molecular sieve;

DOI:10.1002/adsc.201800636

Reference yield: 63.0%

3-tert-butyl-2-cyclopenten-1-one (5682-70-2) + m-Chlorobenzaldehyde (587-04-2) + 3-methyl-5-isoxazolone (1517-96-0) → (1'R,2'R,3'S,3a'S,6a'S)-6'-(tert-butyl)-1',3'-bis(3-chlorophenyl)-3-methyl-3',3a'-dihydro-1'H,5H-spiro[isoxazole-4,2'-pentalene]-4',5(6a'H)-dione

Guidance literature:

With 2-hydroxy-p-toluic acid; C₂₃H₃₁N₃; In toluene; at 50 ℃; for 72h; stereoselective reaction; Molecular sieve;

DOI:10.1002/adsc.201800636

upstream raw materials:

1-(tert-butyl)cyclopent-1-ene

Downstream raw materials:

3-tert-Butyl-cyclopentanone

2-Benzyl-3-t-butyl-cyclopentanon