3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione

Base Information

• Chemical Name: 3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione
• CAS No.: 863886-38-8
• Molecular Formula: C₂₀H₁₉NO₄S₂
• Molecular Weight: 401.507
• European Community (EC) Number: 635-952-1
• NSC Number: 745735
• UNII: UB4R7U7T78
• DSSTox Substance ID: DTXSID60458563
• Pharos Ligand ID: X8ZD1Z1FWCJP
• ChEMBL ID: CHEMBL1165659
• Mol file: 863886-38-8.mol

Synonyms:PM-20;863886-38-8;NSC-745735;UB4R7U7T78;3,4-bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione;UNII-UB4R7U7T78;CHEMBL1165659;1-(1,1'-Biphenyl)-4-yl-3,4-bis((2-hydroxyethyl)thio)-1H-pyrrole-2,5-dione;1H-Pyrrole-2,5-dione, 1-(1,1'-biphenyl)-4-yl-3,4-bis((2-hydroxyethyl)thio)-;SCHEMBL4475335;DTXSID60458563;BDBM50342001;NSC745735;1-(Biphenyl-4-yl)-3,4-bis(2-hydroxyethylthio)-1H-pyrrole-2,5-dione;1-[1,4-bis[(2-hydroxyethyl)thio]-1H-1-[1,1'-biphenyl]-4-yl-3,4-bis[(2-hydroxyethyl)thio]-1H-Pyrrole-2,5-dione

Chemical Property of 3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione

Chemical Property:

• PSA: 128.44000
• LogP: 2.95440
• Storage Temp.: −20°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 401.07555043
• Heavy Atom Count: 27
• Complexity: 536

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C(=C(C3=O)SCCO)SCCO

Technology Process of 3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione

There total 2 articles about 3,4-Bis(2-hydroxyethylsulfanyl)-1-(4-phenylphenyl)pyrrole-2,5-dione 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: 85.6%

1-(biphenyl-4-yl)-3,4-dibromo-1H-pyrrole-2,5-dione (863886-51-5) + 2-hydroxyethanethiol (60-24-2) → 1-(biphenyl-4-yl)-3,4-bis(2-hydroxyethylthio)-1H-pyrrole-2,5-dione (863886-38-8)

Guidance literature:

With 1H-imidazole; In tetrahydrofuran; for 3h;

DOI:10.1016/j.bmc.2010.04.057

Reference yield: 85.6%

→ 1-(biphenyl-4-yl)-3,4-bis(2-hydroxyethylthio)-1H-pyrrole-2,5-dione (863886-38-8)

Guidance literature:

upstream raw materials:

1-(biphenyl-4-yl)-3,4-dibromo-1H-pyrrole-2,5-dione

2-hydroxyethanethiol