Diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate

Base Information

• Chemical Name: Diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate
• CAS No.: 5269-44-3
• Molecular Formula: C12H19 N O2 Si
• Molecular Weight: 237.374
• DSSTox Substance ID: DTXSID80409734

Synonyms:5269-44-3;diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate;DTXSID80409734;AKOS004005900

Chemical Property of Diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.95E-20mmHg at 25°C
• Boiling Point: 717.5°Cat760mmHg
• Flash Point: 387.7°C
• Density: 1.338g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 513.1666633
• Heavy Atom Count: 36
• Complexity: 807

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=CC(=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OCC

Technology Process of Diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate

There total 4 articles about Diethyl 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate 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:

N,O-bis-(trimethylsilyl)-acetamide (10416-59-8) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → O-(Trimethylsilyl)phenylalanine (5269-44-3)

Guidance literature:

In toluene; at 110 ℃; for 4h;

DOI:10.1039/a704927g

Reference yield:

chloro-trimethyl-silane (75-77-4) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → O-(Trimethylsilyl)phenylalanine (5269-44-3)

Guidance literature:

In chloroform; acetonitrile; for 2h; Heating;

DOI:10.1021/jo00346a031

Reference yield:

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + N,O-Bis(trimethylsilyl)acetamide (10416-59-8,132255-83-5) → O-(Trimethylsilyl)phenylalanine (5269-44-3)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/S0040-4039(98)01009-0

upstream raw materials:

chloro-trimethyl-silane

L-phenylalanine

N,O-bis-(trimethylsilyl)-acetamide

N,O-Bis(trimethylsilyl)acetamide

Downstream raw materials:

N-(9-phenylfluoren-9-yl)-L-phenylalanine

(S)-3-Methyl-2-[(S)-3-phenyl-2-((E)-3-pyridin-3-yl-allyloxycarbonylamino)-propionylamino]-butyric acid tert-butyl ester

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