3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-

Base Information

• Chemical Name: 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-
• CAS No.: 82058-44-4
• Molecular Formula: C₃₄H₂₉Cl₄N₃OS
• Molecular Weight: 669.502
• DSSTox Substance ID: DTXSID601002451
• Nikkaji Number: J68.391D
• Mol file: 82058-44-4.mol

Synonyms:ITA 477;BRN 5694992;3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-;82058-44-4;ITA-477;DTXSID601002451;LS-59695;2,4,6,8-Tetrakis(4-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid

Chemical Property of 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-

Chemical Property:

• Vapor Pressure: 3.32E-23mmHg at 25°C
• Boiling Point: 763.3°Cat760mmHg
• Flash Point: 415.4°C
• Density: 1.357g/cm³
• XLogP3: 8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 669.075594
• Heavy Atom Count: 43
• Complexity: 893

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=S)N1C(C2C(NC(C(C1C3=CC=C(C=C3)Cl)C2=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

Technology Process of 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)-

There total 1 articles about 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-chlorophenyl)- 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: 35.0%

Ethyl isothiocyanate (542-85-8) + 2,4,6,8-Tetrakis-(4-chloro-phenyl)-3,7-diaza-bicyclo[3.3.1]nonan-9-one (77737-97-4) → 2,4,6,8-Tetrakis-(4-chloro-phenyl)-9-oxo-3,7-diaza-bicyclo[3.3.1]nonane-3-carbothioic acid ethylamide (82058-44-4)

Guidance literature:

In chloroform; for 140h; Heating;

upstream raw materials:

Ethyl isothiocyanate

2,4,6,8-Tetrakis-(4-chloro-phenyl)-3,7-diaza-bicyclo[3.3.1]nonan-9-one