(1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime

Base Information

• Chemical Name: (1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime
• CAS No.: 82993-63-3
• Molecular Formula: C18H14N2S
• Molecular Weight: 290.389
• DSSTox Substance ID: DTXSID70525331
• Mol file: 82993-63-3.mol

Synonyms:82993-63-3;DTXSID70525331;(1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime

Chemical Property of (1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.08776963
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=C2C=CC(=NSC3=CC=CC=C3)C=C2

Technology Process of (1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime

There total 10 articles about (1E,4E)-4-(Phenylimino)cyclohexa-2,5-dien-1-one S-phenylthioxime 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: 82.0%

N-phenyl-benzenesulphenamide (14933-91-6) → N-phenyl-N'-phenylthio-p-benzoquinone di-imine (82993-63-3) + aniline (62-53-3) + diphenyldisulfane (882-33-7)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene; at 25 ℃;

Reference yield: 76.0%

N-phenylbis(benzenesulphen)amide (88047-06-7) → N-phenyl-benzenesulphenamide (14933-91-6) + N-phenyl-N'-phenylthio-p-benzoquinone di-imine (82993-63-3) + 4-chloro-aniline (106-47-8) + diphenyldisulfane (882-33-7)

Guidance literature:

With trifluoroacetic acid; In benzene; for 0.166667h; Further byproducts given; Ambient temperature;

Reference yield: 73.0%

N-phenyl-benzenesulphenamide (14933-91-6) → N-phenyl-N'-phenylthio-p-benzoquinone di-imine (82993-63-3) + N-phenylbis(benzenesulphen)amide (88047-06-7) + diphenyldisulfane (882-33-7)

Guidance literature:

With trans-di-O-tert-butyl hyponitrite; In benzene; at 40 ℃; for 48h;

upstream raw materials:

N-phenyl-benzenesulphenamide

N-phenylbis(benzenesulphen)amide

dimethylacetylene

acetonitrile

Downstream raw materials:

N-phenyl-N'-phenylthio-p-phenylenediamine

diphenyldisulfane

N-phenylphenylene-1,4-diamine

Refernces

• 1、 Benati, Luisa,Montevecchi, P. Carlo,Spagnolo, Piero. "Acid-promoted Decomposition of Benzenesulphenanilides and N-Aryl Bis(benzenesulphen)amides". . p. 2261 - 2266. Retrieved 2007/10/02.
• 2、 Balboni, Claudio,Benati, Luisa,Montevecchi, P. Carlo,Spagnolo, Piero. "Benzenesulphenanilidyl Radicals. Part 2. Substituent and Solvent Effects on the Reactivity of 4'-Substituted Benzenesulphenanilidyl Radicals Produced by Oxidation with Lead Dioxide of the Corresponding Benzenesulphenanilides". . p. 2111 - 2117. Retrieved 2007/10/02.