dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate

Base Information

• Chemical Name: dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
• CAS No.: 81239-29-4
• Molecular Formula: C18H25NO5
• Molecular Weight: 335.3948
• NSC Number: 355136
• DSSTox Substance ID: DTXSID60421499
• Wikidata: Q82233018

Synonyms:NSC355136;81239-29-4;DTXSID60421499;NSC-355136

Chemical Property of dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate

Chemical Property:

• Vapor Pressure: 7.39E-08mmHg at 25°C
• Boiling Point: 437.6°Cat760mmHg
• Flash Point: 218.4°C
• Density: 1.178g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 335.17327290
• Heavy Atom Count: 24
• Complexity: 609

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(=C(C(=O)C1)C(=CC(=O)OC)C(=O)OC)N2CCCC2)C
• Isomeric SMILES: CC1(CC(=C(C(=O)C1)/C(=C/C(=O)OC)/C(=O)OC)N2CCCC2)C

Technology Process of dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate

There total 1 articles about dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate 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: 37.0%

5,5-dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-one (3357-16-2) + dimethyl acetylenedicarboxylate (762-42-5) → 5,5-dimethyl-7-oxo-3-(1-pyrrolidinyl)-2,8-cyclooctadiene-1,2-dicarboxylic acid dimethyl ester (35509-80-9) + 4,4-dimethyl-6-oxo-2-(1-pyrrolidinyl)-1-cyclohexene-1-butenedioic acid dimethyl ester (81239-29-4)

Guidance literature:

1.) propylene carbonate, 0-5 deg C (adding), then 0 deg C, 1 h, 2.) RT, several h;

DOI:10.1016/S0040-4020(01)98870-2

upstream raw materials:

5,5-dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-one

dimethyl acetylenedicarboxylate

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