2,5-Bis(4-methoxybenzylidene)cyclopentanone

Base Information

• Chemical Name: 2,5-Bis(4-methoxybenzylidene)cyclopentanone
• CAS No.: 5447-53-0
• Molecular Formula: C₂₁H₂₀O₃
• Molecular Weight: 320.388
• NSC Number: 15809
• Nikkaji Number: J1.728.267K,J700.879A
• ChEMBL ID: CHEMBL509621
• Mol file: 5447-53-0.mol

Synonyms:2,5-bis(4-methoxybenzylidene)cyclopentanone;(2E,5E)-2,5-bis(4-methoxybenzylidene)cyclopentanone;NSC15809;CHEMBL509621;SCHEMBL17693071;HMS551G01;NSC-15809;NSC757959;STK756758;AKOS000575988;NSC-757959;5447-53-0;2,5-Bis[(E)-4-methoxybenzylidene]cyclopentanone

Chemical Property of 2,5-Bis(4-methoxybenzylidene)cyclopentanone

Chemical Property:

• Vapor Pressure: 1.16E-11mmHg at 25°C
• Boiling Point: 538.4°Cat760mmHg
• Flash Point: 272°C
• PSA: 35.53000
• Density: 1.191g/cm³
• LogP: 4.53370
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 320.14124450
• Heavy Atom Count: 24
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2CCC(=CC3=CC=C(C=C3)OC)C2=O
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OC)/CC2

Technology Process of 2,5-Bis(4-methoxybenzylidene)cyclopentanone

There total 8 articles about 2,5-Bis(4-methoxybenzylidene)cyclopentanone 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: 100.0%

4-methoxy-benzaldehyde (123-11-5) + cyclopentanone (120-92-3) → (2E,5E)-2,5-bis(4-methoxybenzylidene)cyclopentanone (5447-53-0,106115-46-2)

Guidance literature:

With lithium perchlorate; triethylamine; at 20 ℃; for 0.0166667h;

DOI:10.1055/s-2006-926346

Reference yield: 98.0%

4-methoxy-benzaldehyde (123-11-5) + cyclopentanone (120-92-3) → 2,5-bis-(4-methoxy-benzylidene)-cyclopentanone (5447-53-0,106115-46-2)

Guidance literature:

With potassium hydroxide; In ethanol; at 40 ℃; for 0.00138889h;

DOI:10.1155/2012/390528

Reference yield: 92.0%

→ (2E,5E)-2,5-bis(4-methoxybenzylidene)cyclopentanone (5447-53-0,106115-46-2)

Guidance literature:

upstream raw materials:

4-methoxy-benzaldehyde

cyclopentanone

2-(4-methoxybenzylidene)cyclopentanone

1,1-diethoxy-cyclopentane

Downstream raw materials:

1-N-methyl-spiro[2.3']oxindole-spiro[3.2]5-(4-methoxy)benzylidenecyclopentanone-4-(4-methoxy)phenyl-pyrrolidine

3-(4-methoxybenzylidene)-9-(4-methoxyphenyl)-6,6-dimethyl-2,3,6,7-tetrahydrocyclopenta[b]chromen-8(1H,5H,9H)-one

2',3',6',7'-Tetrahydro-4'-(4-methoxyphenyl)-1',2,5-tris<(E)-(4-methoxyphenyl)methylen>spiro

2-(4-Methoxyphenyl)-5-<(E)-(4-methoxyphenyl)methylen>-1,1-dimethylspiro<2.4>heptan-4-on

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