Cyclofenil

Base Information

• Chemical Name: Cyclofenil
• CAS No.: 2624-43-3
• Molecular Formula: C23H24O4
• Molecular Weight: 364.441
• European Community (EC) Number: 220-089-1
• NSC Number: 86464
• UNII: J468V64WZ1
• DSSTox Substance ID: DTXSID4022866
• Nikkaji Number: J3.393F
• Wikipedia: Cyclofenil
• Wikidata: Q513583
• NCI Thesaurus Code: C78030
• Pharos Ligand ID: BA34G845W1GW
• Metabolomics Workbench ID: 154278
• ChEMBL ID: CHEMBL141305
• Mol file: 2624-43-3.mol

Synonyms:4-((4-(Acetyloxy)phenyl)cyclohexylidenemethyl)phenol Acetate;Cyclofenil;Cyclophenil;F 6066;F-6066;F6066;Ondogyne

Chemical Property of Cyclofenil

Chemical Property:

• Vapor Pressure: 1.77E-10mmHg at 25°C
• Melting Point: 135-136°
• Refractive Index: 1.572
• Boiling Point: 509 °C at 760 mmHg
• Flash Point: 254.8 °C
• PSA: 52.60000
• Density: 1.153 g/cm³
• LogP: 5.30320
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 10 mg/mL at 60 °C, soluble
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 364.16745924
• Heavy Atom Count: 27
• Complexity: 503

Purity/Quality:

Cyclofenil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)C
• Uses: Cyclofenil is a weak nonsteroidal estrogen with ovulation induction properties. Cyclofenil is a weak nonsteroidal estrogen with ovulation induction properties. Mammalian hormone.
• Therapeutic Function: Ovulation stimulant

Technology Process of Cyclofenil

There total 5 articles about Cyclofenil 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:

4,4'-Dihydroxybenzophenone (611-99-4) → cyclofenil (2624-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / Li, TiCl₃ / 1,2-dimethoxy-ethane / 1.) room temp., 4 h; 2.) reflux, 13 h

2: pyridine

With titanium(III) chloride; lithium; In pyridine; 1,2-dimethoxyethane;

DOI:10.1016/S0040-4020(01)89809-4

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → cyclofenil (2624-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / Li, TiCl₃ / 1,2-dimethoxy-ethane / 1.) room temp., 4 h; 2.) reflux, 13 h

2: pyridine

With titanium(III) chloride; lithium; In pyridine; 1,2-dimethoxyethane;

DOI:10.1016/S0040-4020(01)89809-4

Reference yield:

2,2-bis(4-hydroxyphenyl)methylenecyclohexane (5189-40-2) + acetic anhydride (108-24-7) → cyclofenil (2624-43-3)

Guidance literature:

In pyridine; Yield given;

DOI:10.1016/S0040-4020(01)89809-4

upstream raw materials:

2,2-bis(4-hydroxyphenyl)methylenecyclohexane

acetic anhydride

1,1'-(cyclohexylidenemethylene)bis(4-methoxy)benzene

4,4'-Dihydroxybenzophenone

Downstream raw materials:

2,2-bis(4-hydroxyphenyl)methylenecyclohexane

Refernces