1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one

Base Information

Chemical Name:1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one
CAS No.:243672-14-2
Molecular Formula:C₇H₁₀O₂
Molecular Weight:126.155
Hs Code.:
DSSTox Substance ID:DTXSID90499368
Wikidata:Q82350085
Mol file:243672-14-2.mol

Synonyms:243672-14-2;1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one;DTXSID90499368

Suppliers and Price of 1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one

Chemical Property:

PSA：37.30000
LogP:0.65650
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:126.068079557
Heavy Atom Count:9
Complexity:158

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CCCC1O
Isomeric SMILES:CC(=O)C1=CCC[C@@H]1O

Technology Process of 1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-1-one

There total 1 articles about 1-[(5S)-5-Hydroxycyclopent-1-en-1-yl]ethan-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: 44.0%

: 108-05-4,9003-20-7
vinyl acetate

: 70433-48-6
(+/-)-2-acetyl-2-cyclopenten-1-ol

: 243672-14-2
(S)-2-acetyl-2-cyclopenten-1-ol

: (R)-5-acetoxy-1-acetyl-1-cyclopentene

: (S)-5-acetoxy-1-acetyl-1-cyclopentene

Guidance literature:: With PS-lipase "Amano"; In various solvent(s); at 35 ℃; for 60h; Title compound not separated from byproducts;
DOI:10.1016/S0040-4020(99)00445-7

Reference yield:

: 243672-14-2
(S)-2-acetyl-2-cyclopenten-1-ol

: 243672-17-5
(2S,5S)-2,5-diphenyl-1-(1'-trimethylsiloxy-1'-ethenyl)cyclopentane

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / imidazole / dimethylformamide / 0.75 h / 20 °C

2: 99 percent / DMPU; TMSCl / CuBr*SMe₂ / tetrahydrofuran; diethyl ether / 0.5 h / -50 °C

3: 87 percent / DMPU; TMSCl / CuBr*SMe₂ / tetrahydrofuran; diethyl ether / 0.75 h / -78 °C

4: 99 percent / LDA / tetrahydrofuran / 1 h / -60 °C

With 1H-imidazole; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; chloro-trimethyl-silane; lithium diisopropyl amide; copper(I) bromide dimethylsulfide complex; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide; 1: Substitution / 2: Grignard reaction / 3: Grignard reaction / 4: Substitution;
DOI:10.1016/S0040-4020(99)00445-7

Reference yield:

: 243672-14-2
(S)-2-acetyl-2-cyclopenten-1-ol

: 243672-13-1
(R)-1-acetyl-5-phenyl-1-cyclopentene

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / imidazole / dimethylformamide / 0.75 h / 20 °C

2: 99 percent / DMPU; TMSCl / CuBr*SMe₂ / tetrahydrofuran; diethyl ether / 0.5 h / -50 °C

With 1H-imidazole; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; chloro-trimethyl-silane; copper(I) bromide dimethylsulfide complex; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide; 1: Substitution / 2: Grignard reaction;
DOI:10.1016/S0040-4020(99)00445-7