1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 885722-38-3
• Molecular Formula: C₂₉H₂₉N₃O₂S
• Molecular Weight: 483.634
• Mol file: 885722-38-3.mol

Synonyms:1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER

Chemical Property of 1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• PSA: 68.11000
• LogP: 4.93610

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Useful:

Technology Process of 1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER

There total 4 articles about 1,4-DIBENZYL-7-PHENYL-6-THIOXO-1,4,7-TRIAZA-SPIRO[4.4]NON-8-ENE-9-CARBOXYLIC ACID ETHYL ESTER 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: 73.0%

1,3-dibenzyl-2-N-phenylthiocarbamoylimidazolinium inner salt (885722-11-2) + propynoic acid ethyl ester (623-47-2) → ethyl 1,3-dibenzyl-1'-phenyl-2',3'-dihydrospiro(imidazolidine-2,3'-pyrrole)-2'-thione-4'-carboxylate (885722-38-3) + ethyl 1,3-dibenzyl-2'-phenylimino-2',3'-dihydrospiro[imidazoline-2,3'-thiophene]-4'-carboxylate

Guidance literature:

In tetrahydrofuran; at 60 - 80 ℃; for 1.5h; Further Variations:; Solvents; time; Product distribution;

DOI:10.1039/b517700f

Reference yield: 73.0%

1,3-dibenzyl-2-N-phenylthiocarbamoyl imidazolinium inner salt + propynoic acid ethyl ester (623-47-2) → ethyl 1,3-dibenzyl-1'-phenyl-2',3'-dihydrospiro(imidazolidine-2,3'-pyrrole)-2'-thione-4'-carboxylate (885722-38-3) + ethyl 1,3-dibenzyl-2'-phenylimino-2',3'-dihydrospiro(imidazolidine-2,3'-thiophene)-4'-carboxylate

Guidance literature:

In tetrahydrofuran; for 1.5h; Heating;

DOI:10.1002/chem.200601482

Reference yield:

HCN(CH2C6H5)CH2CH2N(CH2C6H5)(1+)*Cl(1-)=[HCN(CH2C6H5)CH2CH2N(CH2C6H5)]Cl → ethyl 1,3-dibenzyl-1'-phenyl-2',3'-dihydrospiro(imidazolidine-2,3'-pyrrole)-2'-thione-4'-carboxylate (885722-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / sodium hydride / tetrahydrofuran / 0 - 20 °C

2: 73 percent / tetrahydrofuran / 1.5 h / Heating

With sodium hydride; In tetrahydrofuran;

DOI:10.1002/chem.200601482

upstream raw materials:

1,3-dibenzyl-2-N-phenylthiocarbamoylimidazolinium inner salt

propynoic acid ethyl ester

phenyl isothiocyanate

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