2-[4-[[4-[Bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Base Information

• Chemical Name: 2-[4-[[4-[Bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
• CAS No.: 287922-16-1
• Molecular Formula: C21H18N4O2
• Molecular Weight: 358.39
• European Community (EC) Number: 631-123-3
• DSSTox Substance ID: DTXSID10360066
• Nikkaji Number: J1.343.669J
• Mol file: 287922-16-1.mol

Synonyms:287922-16-1;2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile;[4-[Cyano[4-[bis(2-hydroxyethyl)iminio]-2,5-cyclohexadiene-1-ylidene]methyl]phenyl]dicyanomethanide;Oprea1_053225;Oprea1_236101;DTXSID10360066

Chemical Property of 2-[4-[[4-[Bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Chemical Property:

• Boiling Point: 89-102 °C(lit.)
• PSA: 115.07000
• LogP: 0.39804
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.14297583
• Heavy Atom Count: 27
• Complexity: 772

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C#N)C2=CC=C(C=C2)N(CCO)CCO)C=CC1=C(C#N)C#N

Technology Process of 2-[4-[[4-[Bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

There total 2 articles about 2-[4-[[4-[Bis(2-hydroxyethyl)amino]phenyl]-cyanomethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile 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: 95.0%

→ 2-[4-({4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-cyano-methylene)-cyclohexa-2,5-dienylidene]-malononitrile (287922-16-1)

Guidance literature:

In dichloromethane; Photolysis;

DOI:10.1016/S0040-4039(00)00610-9

Reference yield: 51.0%

2,2'-(phenylimino)bis[ethanol] (120-07-0) + 7,7',8,8'-tetracyanoquinodimethane (1518-16-7,6144-37-2) → 2-[4-({4-[bis-(2-hydroxy-ethyl)-amino]-phenyl}-cyano-methylene)-cyclohexa-2,5-dienylidene]-malononitrile (287922-16-1)

Guidance literature:

In chlorobenzene; for 24h; Heating;

DOI:10.1016/S0040-4039(00)00610-9

upstream raw materials:

2,2'-(phenylimino)bis[ethanol]

7,7',8,8'-tetracyanoquinodimethane