2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

Base Information

• Chemical Name: 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one
• CAS No.: 21834-98-0
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• European Community (EC) Number: 244-603-9
• DSSTox Substance ID: DTXSID50944440
• Nikkaji Number: J225.450F
• Mol file: 21834-98-0.mol

Synonyms:2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one;21834-98-0;FEMA 3269;2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one;2-Cyclopenten-1-one, 2-hydroxy-3,5-dimethyl-;EINECS 244-603-9;SCHEMBL443100;DTXSID50944440;3,5-dimethylcyclopent-2-en-2-olone;FT-0699531;2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one #

Chemical Property of 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.633mmHg at 25°C
• Melting Point: 87-95?°C(lit.)
• Refractive Index: 1.4690 (estimate)
• Boiling Point: 245.8°Cat760mmHg
• PKA: 9.22±0.40(Predicted)
• Flash Point: 101°C
• PSA: 37.30000
• Density: 1.131g/cm³
• LogP: 1.42730
• Storage Temp.: 0-6°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-1,2-cyclopentadione ≥97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=C(C1=O)O)C

Technology Process of 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one

There total 13 articles about 2-Hydroxy-3,5-dimethylcyclopent-2-en-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:

2-hydroxy-3-methylcyclopent-2-en-1-one (80-71-7) → 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one (21834-98-0)

Guidance literature:

Multi-step reaction with 4 steps

1: acetyl chloride

2: sodium hydride / diethyl ether; paraffin / Heating

3: tetrabutylammonium hydrogen sulfate, aq. sodium hydroxide / CH₂Cl₂ / 0.33 h

4: aq. hydroiodic acid / 1 h / Heating

With sodium hydroxide; hydrogen iodide; tetra(n-butyl)ammonium hydrogensulfate; sodium hydride; acetyl chloride; In diethyl ether; dichloromethane; paraffin;

Reference yield:

2-methoxy-3-methylcyclopent-2-en-1-one (14189-85-6) → 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one (21834-98-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride / diethyl ether; paraffin / Heating

2: tetrabutylammonium hydrogen sulfate, aq. sodium hydroxide / CH₂Cl₂ / 0.33 h

3: aq. hydroiodic acid / 1 h / Heating

With sodium hydroxide; hydrogen iodide; tetra(n-butyl)ammonium hydrogensulfate; sodium hydride; In diethyl ether; dichloromethane; paraffin;

Reference yield:

3,5-Dimethyl-1-cyclopenten-1,2-diol (50462-16-3) → 2-hydroxy-3,5-dimethyl-2-cyclopenten-1-one (21834-98-0)

Guidance literature:

With copper diacetate; In acetic acid;

upstream raw materials:

2-methoxy-3,5-dimethyl-2-cyclopenten-1-one

3,5-Dimethyl-1-cyclopenten-1,2-diol

3-methyl-3,5-bis-morpholin-4-ylmethyl-cyclopentane-1,2-dione

2-Hydroxy-5-methyl-3,5-bis-piperidin-1-ylmethyl-cyclopent-2-enone