3-Hydroxy-2-methyl-cyclopent-2-enone

Base Information

Chemical Name:3-Hydroxy-2-methyl-cyclopent-2-enone
CAS No.:5870-63-3
Molecular Formula:C6H8 O2
Molecular Weight:112.128
Hs Code.:
DSSTox Substance ID:DTXSID70207403
Nikkaji Number:J853.317B
Wikidata:Q83081306
ChEMBL ID:CHEMBL1829795
Mol file:5870-63-3.mol

Synonyms:5870-63-3;3-Hydroxy-2-methyl-cyclopent-2-enone;3-Hydroxy-2-methyl-2-cyclopenten-1-one;2-Cyclopenten-1-one,3-hydroxy-2-methyl-;2-Cyclopenten-1-one, 3-hydroxy-2-methyl-;3-hydroxy-2-methylcyclopent-2-en-1-one;3-hydroxy-2-methylcyclopent-2-enone;SCHEMBL123412;CHEMBL1829795;DTXSID70207403;AKOS006291341;2-Methyl-3-hydroxy-2-cyclopenten-1-one;3-Hydroxy-2-methyl-2-cyclopenten-1-one #;TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4-BUTYL-BICYCLOHEXYL

Suppliers and Price of 3-Hydroxy-2-methyl-cyclopent-2-enone

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
Packaging
price

Labseeker
3-hydroxy-2-methylcyclopent-2-enone 95
250g
$ 9166.00

American Custom Chemicals Corporation
3-HYDROXY-2-METHYL-CYCLOPENT-2-ENONE 95.00%
5MG
$ 501.36

Total 31 raw suppliers

Chemical Property of 3-Hydroxy-2-methyl-cyclopent-2-enone

Chemical Property:

Melting Point:213-215 °C(Solv: ethanol (64-17-5))
Boiling Point:212.2°Cat760mmHg
PKA:4.82±0.30(Predicted)
Flash Point:84.4°C
PSA：37.30000
Density:1.225g/cm³
LogP:1.18130
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:112.052429494
Heavy Atom Count:8
Complexity:156

Purity/Quality:

99% ^*data from raw suppliers

3-hydroxy-2-methylcyclopent-2-enone 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(CCC1=O)O

Technology Process of 3-Hydroxy-2-methyl-cyclopent-2-enone

There total 7 articles about 3-Hydroxy-2-methyl-cyclopent-2-enone 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: 71.0%

: 54972-03-1
2-methylcyclopentane-1,3-dione ethylene glycol monoacetal

: 5870-63-3
3-hydroxy-2-methyl-2-cyclopenten-1-one

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; water; for 10h;
DOI:10.1039/c5ob02402a

Reference yield:

: 930-30-3
cyclopent-2-enone

: 5870-63-3
3-hydroxy-2-methyl-2-cyclopenten-1-one

Guidance literature:: Multi-step reaction with 5 steps

1.1: N,N,N,N,N,N-hexamethylphosphoric triamide; methyllithium / diethyl ether / 0.5 h / 0 °C / Inert atmosphere

1.2: 1 h / -78 °C / Inert atmosphere

1.3: 3 h / -78 - 20 °C / Inert atmosphere

2.1: toluene-4-sulfonic acid / benzene / 6 h / Reflux; Dean-Stark

3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.33 h / Inert atmosphere

3.2: 20 h

4.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 0.5 h / Molecular sieve; Inert atmosphere

5.1: hydrogenchloride / tetrahydrofuran; water / 10 h

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; tetrapropylammonium perruthennate; tetrabutyl ammonium fluoride; methyllithium; toluene-4-sulfonic acid; 4-methylmorpholine N-oxide; In tetrahydrofuran; diethyl ether; dichloromethane; water; benzene; 3.2: |Tamao-Kumada Oxidation;
DOI:10.1039/c5ob02402a

Reference yield:

: trans-2-methyl-3-(pentamethyldisilan-1-yl)cyclopentan-1-one

: 5870-63-3
3-hydroxy-2-methyl-2-cyclopenten-1-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / benzene / 6 h / Reflux; Dean-Stark

2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.33 h / Inert atmosphere

2.2: 20 h

3.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 0.5 h / Molecular sieve; Inert atmosphere

4.1: hydrogenchloride / tetrahydrofuran; water / 10 h

With hydrogenchloride; tetrapropylammonium perruthennate; tetrabutyl ammonium fluoride; toluene-4-sulfonic acid; 4-methylmorpholine N-oxide; In tetrahydrofuran; dichloromethane; water; benzene; 2.2: |Tamao-Kumada Oxidation;
DOI:10.1039/c5ob02402a