N-Phenacylthiazolium bromide

Base Information

• Chemical Name: N-Phenacylthiazolium bromide
• CAS No.: 5304-34-7
• Molecular Formula: C11H10BrNOS
• Molecular Weight: 284.176
• Hs Code.: 29341000
• UNII: JE6JEU5BW6
• DSSTox Substance ID: DTXSID30431106
• Wikipedia: N-Phenacylthiazolium_bromide
• ChEMBL ID: CHEMBL1499290
• Mol file: 5304-34-7.mol

Synonyms:N-phenacylthiazolium bromide

Chemical Property of N-Phenacylthiazolium bromide

Chemical Property:

• PSA: 49.19000
• LogP: -1.07750
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 282.96665
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

98%Min ^*data from raw suppliers

N-Phenacylthiazoliumbromide 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2.[Br-]

Technology Process of N-Phenacylthiazolium bromide

There total 2 articles about N-Phenacylthiazolium bromide 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: 51.0%

1,3-thiazole (288-47-1) + α-bromoacetophenone (70-11-1) → 2-(3-thiazolium)-1-phenylethanone bromide (5304-34-7)

Guidance literature:

In methanol; for 3h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmcl.2012.08.092

Reference yield:

→ 2-(3-thiazolium)-1-phenylethanone bromide (5304-34-7)

Guidance literature:

Reference yield: 97.0%

N-p-tolylphenylmaleimide (1631-28-3,25989-85-9) + 2-(3-thiazolium)-1-phenylethanone bromide (5304-34-7) → (5S,5aS,8aS,8bR)-5-Benzoyl-7-p-tolyl-5,5a,8a,8b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-b]thiazole-6,8-dione

Guidance literature:

With triethylamine; In dichloromethane; for 0.166667h; Ambient temperature;

DOI:10.1246/bcsj.58.3137

upstream raw materials:

1,3-thiazole

α-bromoacetophenone

Downstream raw materials:

C₃₁H₂₅NO₃S

Refernces

• 1、 -. "Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet". . . Retrieved 2009/04/24.
• 2、 -. "Method for treating fibrotic diseases or other indications IC". . . Retrieved 2011/07/06.