1-(4-Ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Base Information

• Chemical Name: 1-(4-Ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
• CAS No.: 6606-68-4
• Molecular Formula: C16H24 Cl2 O2
• Molecular Weight: 319.271
• Hs Code.: 2909309090
• European Community (EC) Number: 636-250-8
• DSSTox Substance ID: DTXSID70387714
• Mol file: 6606-68-4.mol

Synonyms:1-(4-ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione;6606-68-4;1-(4-ethoxyphenyl)-3-(4-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione;Oprea1_836142;DTXSID70387714;STK039090;AKOS001020842;AKOS016877985;Z56813864;1-(4-ethoxyphenyl)-3-[(4-phenyl-2-quinazolinyl)sulfanyl]dihydro-1H-pyrrole-2,5-dione

Chemical Property of 1-(4-Ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione

Chemical Property:

• Vapor Pressure: 9.94E-23mmHg at 25°C
• Melting Point: 85-87 °C(lit.)
• Boiling Point: 755.7°C at 760 mmHg
• Flash Point: 410.9°C
• PSA: 97.69000
• Density: 1.39g/cm³
• LogP: 5.18470
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 455.13036271
• Heavy Atom Count: 33
• Complexity: 692

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

Technology Process of 1-(4-Ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione

There total 3 articles about 1-(4-Ethoxyphenyl)-3-[(4-phenylquinazolin-2-yl)sulfanyl]pyrrolidine-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: 91.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,4-dibutoxybenzene (104-36-9) → 1,4-dibutoxy-2,5-bis(chloromethyl)benzene (6606-68-4)

Guidance literature:

With hydrogenchloride; In acetic acid; for 24h;

DOI:10.1016/j.electacta.2012.08.020

Reference yield:

hydroquinone (123-31-9,8027-02-9) → 1,4-dibutoxy-2,5-bis(chloromethyl)benzene (6606-68-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / ethanol / 8 h / Reflux

2: hydrogenchloride / 1,4-dioxane; water / 3 h

With hydrogenchloride; sodium hydroxide; In 1,4-dioxane; ethanol; water;

DOI:10.1039/c3ce42069h

Reference yield:

→ 1,4-dibutoxy-2,5-bis(chloromethyl)benzene (6606-68-4)

Guidance literature:

/BRN= 2455884/;

upstream raw materials:

formaldehyd

1,4-dibutoxybenzene

hydroquinone

Downstream raw materials:

(EE)-1,4-dibutoxy-2,5-bis[2-(furan-2-yl)ethenyl]benzene

(EE)-1,4-dibutoxy-2,5-bis[2-(thiophen-2-yl)ethenyl]benzene

(EE)-1,4-dibutoxy-2,5-bis[2-(selenophen-2-yl)ethenyl]benzene

1,4-bis(diethylphosphonate)-2,5-di(n-butoxy)benzene