(2-Amino-5-thiazolyl)(4-bromophenyl)methanone

Base Information

• Chemical Name: (2-Amino-5-thiazolyl)(4-bromophenyl)methanone
• CAS No.: 27053-25-4
• Molecular Formula: C10H7BrN2OS
• Molecular Weight: 283.148
• ChEMBL ID: CHEMBL4855917
• DSSTox Substance ID: DTXSID501252570
• Mol file: 27053-25-4.mol

Synonyms:(2-Amino-5-thiazolyl)(4-bromophenyl)methanone;27053-25-4;CHEMBL4855917;DTXSID501252570

Chemical Property of (2-Amino-5-thiazolyl)(4-bromophenyl)methanone

Chemical Property:

• Melting Point: 187 °C (diethyl ether)
• Boiling Point: 443.6±20.0 °C(Predicted)
• PKA: 2.51±0.10(Predicted)
• PSA: 84.22000
• Density: 1.678±0.06 g/cm3(Predicted)
• LogP: 3.30000
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 281.94625
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CN=C(S2)N)Br

Technology Process of (2-Amino-5-thiazolyl)(4-bromophenyl)methanone

There total 3 articles about (2-Amino-5-thiazolyl)(4-bromophenyl)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: 65.0%

CYANAMID (420-04-2) + 1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one (73387-60-7) → (2-aminothiazol-5-yl)(4-bromophenyl)methanone (27053-25-4)

Guidance literature:

With 4-methyl-morpholine; sulfur; In 1-methyl-pyrrolidin-2-one; water; at 100 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.joc.9b02032

Reference yield:

N'-[5-(4-bromobenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylimidoformamide (528818-71-5) → (2-aminothiazol-5-yl)(4-bromophenyl)methanone (27053-25-4)

Guidance literature:

With hydrogenchloride; In water; at 70 ℃; for 4h;

DOI:10.1016/j.bmcl.2021.128083

Reference yield:

{2-[2-(4-bromo-phenyl)-2-oxo-ethyl]-isothioureidomethylene}-dimethyl-ammonium; bromide → 4-p-bromophenyl-2-(N,N-dimethylaminomethylenamino)thiazole + (2-aminothiazol-5-yl)(4-bromophenyl)methanone (27053-25-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1080/10426500214568

upstream raw materials:

CYANAMID

1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one

N'-[5-(4-bromobenzoyl)-1,3-thiazol-2-yl]-N,N-dimethylimidoformamide

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