3-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide

Base Information

• Chemical Name: 3-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide
• CAS No.: 5933-95-9
• Molecular Formula: C16H12BrClN2O2S
• Molecular Weight: 411.7007
• DSSTox Substance ID: DTXSID80417238
• Mol file: 5933-95-9.mol

Synonyms:BIM-0037907.P001;DTXSID80417238;CCG-3587;3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide

Chemical Property of 3-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide

Chemical Property:

• Vapor Pressure: 5.04E-13mmHg at 25°C
• Boiling Point: 552.1°Cat760mmHg
• Flash Point: 287.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 409.94914
• Heavy Atom Count: 23
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)O.Br

Technology Process of 3-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide

There total 3 articles about 3-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid hydrobromide 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:

1-ethylsulfanyl-2-benzoyloxy-ethane (856375-36-5) → 1-ethanesulfonyl-2-benzoyloxy-ethane (5933-95-9)

Guidance literature:

With dihydrogen peroxide; acetic acid;

DOI:10.1039/jr9550001049

Reference yield:

benzoyl chloride (98-88-4) → 1-ethanesulfonyl-2-benzoyloxy-ethane (5933-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous H₂O₂; acetic acid

With pyridine; dihydrogen peroxide; acetic acid;

DOI:10.1039/jr9550001049

Reference yield:

2-ethanesulfonylethanol (513-12-2) + benzoyl chloride (98-88-4) → 1-ethanesulfonyl-2-benzoyloxy-ethane (5933-95-9)

Guidance literature:

upstream raw materials:

1-ethylsulfanyl-2-benzoyloxy-ethane

2-ethanesulfonylethanol

benzoyl chloride