Thiazole, 4-(4-nitrophenyl)-

Base Information

• Chemical Name: Thiazole, 4-(4-nitrophenyl)-
• CAS No.: 3704-42-5
• Molecular Formula: C9H6N2O2S
• Molecular Weight: 206.225
• DSSTox Substance ID: DTXSID10190542
• Wikidata: Q83062934
• Mol file: 3704-42-5.mol

Synonyms:4-(4-Nitrophenyl)thiazole;Thiazole, 4-(4-nitrophenyl)-;4-(4-nitrophenyl)-1,3-thiazole;3704-42-5;BRN 0166709;4-27-00-01143 (Beilstein Handbook Reference);C9H6N2O2S;SCHEMBL6756644;DTXSID10190542;C9-H6-N2-O2-S;LS-151032;FT-0754465;EN300-692165

Chemical Property of Thiazole, 4-(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Boiling Point: 380°Cat760mmHg
• Flash Point: 183.6°C
• Density: 1.381g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.01499861
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC=N2)[N+](=O)[O-]

Technology Process of Thiazole, 4-(4-nitrophenyl)-

There total 7 articles about Thiazole, 4-(4-nitrophenyl)- 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: 70.0%

4-Nitrophenacyl bromide (99-81-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(4-nitro-phenyl)-thiazole (3704-42-5)

Guidance literature:

N,N-dimethyl-formamide; With diphosphorus pentasulfide; In 1,3-dioxane; for 1h; Reflux; Inert atmosphere;

4-Nitrophenacyl bromide; for 1h; Reflux;

With magnesium carbonate; In water;

Reference yield:

4-Nitrophenacyl bromide (99-81-0) + magnesium carbonate → 4-(4-nitro-phenyl)-thiazole (3704-42-5)

Guidance literature:

With diphosphorus pentasulfide; In 1,4-dioxane; water; N,N-dimethyl-formamide;

Reference yield:

4-phenyl-thiazole; hydrobromide → 4-(4-nitro-phenyl)-thiazole (3704-42-5)

Guidance literature:

With sulfuric acid; nitric acid; at 5 ℃;

DOI:10.1002/jps.2600580713

upstream raw materials:

4-phenyl-thiazole

[4-(4-nitro-phenyl)-thiazol-2-yl]-methanol

1-chloroacetophenone

4-Nitrophenacyl bromide

Downstream raw materials:

4-(4-aminophenyl)thiazole

C₂₇H₃₃N₉O₄S

C₂₄H₂₉N₉O₄S

1,3-bis-(4-thiazol-4-yl-phenyl)-thiourea

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