2-Methyl-2-cyclopenten-1-one

Base Information

• Chemical Name: 2-Methyl-2-cyclopenten-1-one
• CAS No.: 1120-73-6
• Deprecated CAS: 92538-37-9,106981-21-9,207275-32-9
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• Hs Code.: 29142990
• European Community (EC) Number: 627-283-9
• UNII: N5S7BLT3Q9
• DSSTox Substance ID: DTXSID00870846
• Nikkaji Number: J129.196C
• Metabolomics Workbench ID: 44942
• ChEMBL ID: CHEMBL4097891
• Mol file: 1120-73-6.mol

Synonyms:2-METHYL-2-CYCLOPENTEN-1-ONE;1120-73-6;2-Methylcyclopent-2-enone;2-methylcyclopent-2-en-1-one;2-Methyl-2-cyclopentenone;2-Cyclopenten-1-one, 2-methyl-;Cyclopentenone, 2-methyl-;Cyclopentenone, methyl-;N5S7BLT3Q9;89911-17-1;Methyl-Cyclopentenone;MFCD00012275;UNII-N5S7BLT3Q9;2-Methyl-cyclopent-2-enone;CHEMBL4097891;2-Cyclopenten-1-one,2-methyl-;2-methyl cyclopent-2-en-1-one;2-methyl-cyclopent-2-en-1-one;DTXSID00870846;CHEBI:179529;GEO-03736;AKOS004907581;2-Methyl-2-cyclopenten-1-one, 98%;CS-0180943;FT-0696531;EN300-62498;F77943;J-002703

Chemical Property of 2-Methyl-2-cyclopenten-1-one

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 2.74mmHg at 25°C
• Refractive Index: n20/D 1.479(lit.)
• Boiling Point: 157.5 °C at 760 mmHg
• Flash Point: 53.1 °C
• PSA: 17.07000
• Density: 0.996 g/cm³
• LogP: 1.29560
• Storage Temp.: 0-6°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 122

Purity/Quality:

99.0%Min ^*data from raw suppliers

2-Methyl-2-cyclopentenone ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CC1=CCCC1=O

Technology Process of 2-Methyl-2-cyclopenten-1-one

There total 15 articles about 2-Methyl-2-cyclopenten-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: 72.0%

1-methylbicyclo<3.2.0>heptan-2-one (50459-43-3) → ethene (74-85-1) + 2-methyl-2-cyclopenten-1-one (1120-73-6)

Guidance literature:

at 580 - 600 ℃;

DOI:10.1021/ja00368a014

Reference yield: 56.0%

→ cyclopent-2-enone (930-30-3) + 2-methyl-2-cyclopenten-1-one (1120-73-6)

Guidance literature:

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → dibenzofuran (132-64-9,214827-48-2) + cyclohexenone (930-68-7) + 2-Methylcyclopentanone (1120-72-5) + diphenylether (101-84-8) + tert-butylbenzene (253185-03-4,253185-04-5) + biphenyl (92-52-4,1594-86-1) + propane (74-98-6) + hexane (110-54-3) + n-hexan-2-one (591-78-6) + 2-methyl-2-cyclopenten-1-one (1120-73-6) + cyclohexane (110-82-7,25012-93-5) + n-pentylcyclohexane (4292-92-6) + ethylbenzene (100-41-4,27536-89-6) + 1-butylbenzene (104-51-8) + pentylbenzene (538-68-1) + cyclopentylbenzene (700-88-9) + 4-Phenylphenol (92-69-3) + dicyclohexyl ether (4645-15-2) + 2-phenylpentane (2719-52-0) + 1-pentenylbenzene (826-18-6) + 2-butylcyclohexanone (1126-18-7) + cyclohexylphenyl ether (2206-38-4) + 2-cyclohexylphenol (119-42-6) + 3-methyl-phenol (108-39-4) + ortho-cresol (95-48-7,77504-84-8) + 2-Phenylphenol (90-43-7,287950-96-3) + toluene (108-88-3,15644-74-3,16713-13-6) + cyclohexene (110-83-8) + cyclohexanol (108-93-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + phenol (108-95-2,27073-41-2)

Guidance literature:

With hydrogen; 1 wtpercent K/1 wtpercent Pt/SiO₂; at 425 ℃; under 5931.67 Torr;

upstream raw materials:

2-aminocyclohexanone hydrochloride

1,4-Pentadiene

carbon monoxide

1-methylbicyclo<3.2.0>heptan-2-one

Downstream raw materials:

3-phenylcyclopentanone

(1'RS,2'E,3SR,4aSR,5SR,7aRS,8RS)-5-<3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl>-4a-methyl-2-oxo-hexahydro-3,7a-ethano-2H-cyclopentapyran-8-carbothioate

S,S'-di-t-butyl 1<3'-(diphenylphosphinoyl)-1'-methylprop-2'-enyl>-3a-hydroxy-7a-methyl-octahydro-1H-indene-4,6-dicarbothioate

p-methoxyphenyl-1'cyano-1'dimethyl-2,3 cyclopentanone

Refernces

Total synthesis of the tetraquinane diterpenoid (±)-crinipellin B

10.1021/jo00053a005

Edward Piers and Johanne Renaud details the first total synthesis of the complex natural product (±)-crinipellin B, a tetracyclane diterpenoid with antibiotic properties. The synthesis, which involves a 22-step sequence, begins with 2-methyl-2-cyclopenten-1-one and employs two novel ring-annulation methods to construct the tetracyclane core. Key steps include a copper(I)-catalyzed conjugate addition, a base-promoted cyclization, and a Pd(0)-catalyzed cyclization to form the tricyclic intermediate. The fourth ring is constructed via a stereoselective alkylation and oxidative rearrangement. The final steps involve functional group transformations and reductions to achieve the target molecule. The synthesized (±)-crinipellin B matches the natural product in terms of spectral data, confirming the success of the synthesis. The study highlights the development of new annulation methods and showcases a highly stereoselective approach to constructing complex natural products.

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