Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone

Base Information

• Chemical Name: Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone
• CAS No.: 4123-32-4
• Molecular Formula: C22H16N2OS
• Molecular Weight: 356.448
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID30361297
• Nikkaji Number: J3.238.387D
• Wikidata: Q82143571
• ChEMBL ID: CHEMBL590302
• Mol file: 4123-32-4.mol

Synonyms:Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone;4123-32-4;(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone;CHEMBL590302;Oprea1_202122;DTXSID30361297;BDBM50308498;MFCD03086473;AKOS001119778;CCG-252974;2-Anilino-5-benzoyl-4-phenyl-1,3-thiazole;Phenyl(2-anilino-4-phenylthiazole-5-yl) ketone;EN300-25293034;5-BENZOYL-N,4-DIPHENYL-1,3-THIAZOL-2-AMINE;phenyl (4-phenyl-2-phenylaminothiazol-5-yl)methanone;Phenyl(4-phenyl-2-(phenylamino)thiazol-5-yl)methanone;Z48854049

Chemical Property of Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone

Chemical Property:

• PSA: 70.23000
• LogP: 5.85770
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 356.09833431
• Heavy Atom Count: 26
• Complexity: 453

Purity/Quality:

95% ^*data from raw suppliers

PHENYL-(4-PHENYL-2-PHENYLAMINO-THIAZOL-5-YL)-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Technology Process of Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone

There total 12 articles about Phenyl-(4-phenyl-2-phenylamino-thiazol-5-yl)-methanone 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: 78.0%

1-(methoxyphenylmethylene)-3-phenylthiourea (72149-84-9) + α-bromoacetophenone (70-11-1) → phenyl-1-(4-phenyl-2-phenylamino-1,3-thiazol-5-yl)methanone (4123-32-4)

Guidance literature:

1-(methoxyphenylmethylene)-3-phenylthiourea; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

α-bromoacetophenone; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.14233/ajchem.2015.19092

Reference yield: 78.0%

α-bromoacetophenone (70-11-1) + N-phenylthiocarbamoylbenzamidine (39536-03-3) → phenyl-1-(4-phenyl-2-phenylamino-1,3-thiazol-5-yl)methanone (4123-32-4)

Guidance literature:

With triethylamine; In acetone; at 20 ℃;

DOI:10.1021/jo0009447

Reference yield: 73.0%

1,3-diphenylpropanedione (120-46-7,61346-73-4) + monophenylthiourea (103-85-5) → phenyl-1-(4-phenyl-2-phenylamino-1,3-thiazol-5-yl)methanone (4123-32-4)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In benzene; for 6h; Heating;

upstream raw materials:

N-(5-benzoyl-4-phenyl-thiazol-2-yl)-N-phenyl-acetamide

2-chloro-1,3-diphenyl-propane-1,3-dione

monophenylthiourea

potassium thioacyanate

Downstream raw materials:

N-(5-benzoyl-4-phenyl-thiazol-2-yl)-N-phenyl-acetamide

[2-(N-nitroso-anilino)-4-phenyl-thiazol-5-yl]-phenyl-methanone