Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-

Base Information

• Chemical Name: Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-
• CAS No.: 38394-53-5
• Deprecated CAS: 61413-26-1
• Molecular Formula: C27H34N2O
• Molecular Weight: 402.58
• Hs Code.: 2922399090
• Nikkaji Number: J1.021.750D,J2.469.859I
• ChEMBL ID: CHEMBL1631818
• Mol file: 38394-53-5.mol

Synonyms:Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-;261360-66-1;38394-53-5;(2E,5E)-2,5-bis[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one;Cyclopentanone, 2,5-bis((4-(diethylamino)phenyl)methylene)-;Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-, (2E,5E)-;2,5-Bis[4-(diethylamino)benzylidene]cyclopentanone;SCHEMBL2847156;CHEMBL1631818;C27H34N2O;KKLBPVXKMBLCQX-BLVCXSLXSA-N;BDBM111817;2,5-Bis(4-diethylaminobenzylidene)cyclopentanone (17);2,5-Bis[(E)-4-(diethylamino)benzylidene]cyclopentanone;(2E,5E)-2,5-bis[4-(diethylamino)benzylidene]cyclopentanone;2,5-di[(e)-1-(4-diethylaminophenyl)methylidene]-1-cyclopentanone

Chemical Property of Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-

Chemical Property:

• Vapor Pressure: 2.83E-14mmHg at 25°C
• Boiling Point: 598.3°C at 760 mmHg
• Flash Point: 250.3°C
• PSA: 23.55000
• Density: 1.109g/cm³
• LogP: 6.20890
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 402.267113712
• Heavy Atom Count: 30
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=C2CCC(=CC3=CC=C(C=C3)N(CC)CC)C2=O
• Isomeric SMILES: CCN(C1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)N(CC)CC)/CC2)CC

Technology Process of Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-

There total 2 articles about Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]- 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: 98.0%

4-Diethylaminobenzaldehyde (120-21-8) + cyclopentanone (120-92-3) → 2,5-bis(<4-(diethylamino)phenyl>methylene)cyclopentanone (38394-53-5)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.1107/S2053229619014360

Reference yield: 42.0%

4-Diethylaminobenzaldehyde (120-21-8) + cyclopentanone (120-92-3) → 2-{[4-(diethylamino)phenyl]methylene}cyclopentanone + 2,5-bis(<4-(diethylamino)phenyl>methylene)cyclopentanone (38394-53-5)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 3h; Inert atmosphere; Cooling with ice;

DOI:10.1039/c0ob01278e

upstream raw materials:

4-Diethylaminobenzaldehyde

cyclopentanone

Refernces

• 1、 Bogdanov, Georgii,Tillotson, John P.,Khrustalev, Victor N.,Rigin, Sergei,Timofeeva, Tatiana V.. "Synthesis and structural study of organic two-photon-absorbing cycloalkanone chromophores". . p. 1554 - 1561. Retrieved 2019/11/14.
• 2、 Zou, Qianli,Zhao, Yuxia,Makarov, Nikolay S.,Campo, Jochen,Yuan, Hao,Fang, De-Cai,Perry, Joseph W.,Wu, Feipeng. "Effect of alicyclic ring size on the photophysical and photochemical properties of bis(arylidene)cycloalkanone compounds". experimental part. p. 11743 - 11752. Retrieved 2012/10/08.