CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER

Base Information

• Chemical Name: CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER
• CAS No.: 20929-99-1
• Molecular Formula: C₂₃H₂₃F₂NO₂
• Molecular Weight: 383.438
• DSSTox Substance ID: DTXSID40175089
• Nikkaji Number: J34.000F
• Wikidata: Q83045338
• Mol file: 20929-99-1.mol

Synonyms:20929-99-1;BRN 3109398;CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER;1,1-Bis(4-fluorophenyl)-2-propynyl N-cycloheptylcarbamate;N-Cycloheptylcarbamic Acid 1,1-Bis(4-Fluorophenyl)-2-Propynyl Ester;DTXSID40175089;LS-55999;N-Cycloheptylcarbamic acid 1,1-bis(p-fluorophenyl)-2-propynyl ester

Chemical Property of CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Boiling Point: 487.6°C at 760 mmHg
• PKA: 11.23±0.20(Predicted)
• Flash Point: 248.7°C
• PSA: 41.82000
• Density: 1.21g/cm³
• LogP: 5.49500
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 383.16968530
• Heavy Atom Count: 28
• Complexity: 526

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCCC3

Technology Process of CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER

There total 1 articles about CYCLOHEPTANECARBAMIC ACID, 1,1-BIS(p-FLUOROPHENYL)-2-PROPYNYL ESTER 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:

cycloheptyl isocyanate (4747-68-6) + 1,1-bis(4-fluorophenyl)prop-2-yn-1-ol (357-77-7) → N-Cycloheptyl-carbaminsaeure-<3.3-di-(4-fluor-phenyl)-propin-(1)-yl-(3)>-ester (20929-99-1)

Guidance literature:

With ethanol; potassium carbonate; In dichloromethane;

DOI:10.1021/jm00312a011

upstream raw materials:

cycloheptyl isocyanate

1,1-bis(4-fluorophenyl)prop-2-yn-1-ol