2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one

Base Information

• Chemical Name: 2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
• CAS No.: 53940-63-9
• Molecular Formula: C11H17NO
• Molecular Weight: 179.2588
• NSC Number: 179345
• DSSTox Substance ID: DTXSID10306686
• Nikkaji Number: J734.811H
• Wikidata: Q82053888

Synonyms:53940-63-9;NSC179345;DTXSID10306686;NSC-179345;2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one

Chemical Property of 2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one

Chemical Property:

• Vapor Pressure: 0.00218mmHg at 25°C
• Boiling Point: 289.6°Cat760mmHg
• Flash Point: 106.1°C
• Density: 1.082g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(CCCC1=O)N2CCCC2

Technology Process of 2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one

There total 1 articles about 2-Methyl-3-(pyrrolidin-1-yl)cyclohex-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:

pyrrolidine (123-75-1) + 2-methylcyclohexane-1,3-dione (1193-55-1) → 2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (53940-63-9)

Guidance literature:

In benzene; for 5h; Heating;

DOI:10.1055/s-1982-29841

Reference yield: 78.0%

2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (53940-63-9) + 4-(N,N'-dimethoxycarbonylhydrazino)-2-methyl-3-pyrrolidin-1-yl-5,6-dihydro-4H-thiopyran 1,1-dioxide (89717-32-8) → 4-(N,N'-dimethoxycarbonylhydrazino)-2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (89717-43-1)

Guidance literature:

In diethyl ether; for 12h; Ambient temperature;

DOI:10.1039/P19830002735

Reference yield: 65.0%

2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (53940-63-9) + butyl magnesium bromide (693-04-9) → 3-n-butyl-2-methyl-2-cyclohexen-1-one (56745-19-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; Ambient temperature;

DOI:10.1016/0040-4039(96)00725-3

upstream raw materials:

pyrrolidine

2-methylcyclohexane-1,3-dione

Downstream raw materials:

4-(N,N'-dimethoxycarbonylhydrazino)-2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one

2-Methyl-3-pyrrolidin-1-yl-phenol

4-(N,N'-diethoxycarbonylhydrazino)-2-methyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one

3-ethyl-2-methylcyclohex-2-en-1-one

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