Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt

Base Information

• Chemical Name: Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt
• CAS No.: 86660-12-0
• Molecular Formula: C₁₃H₁₀N₂OS
• Molecular Weight: 242.301
• DSSTox Substance ID: DTXSID70235741
• Wikidata: Q83117621
• Mol file: 86660-12-0.mol

Synonyms:BRN 4699416;86660-12-0;Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt;3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium inner salt;3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium hydroxide, inner-salt;DTXSID70235741;AKOS001033341;Z56761353;3-Hydroxy-7-methyl-2-phenylthiazolo(3,2-a)pyrimidin-4-ium hydroxide,i nner-salt

Chemical Property of Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt

Chemical Property:

• PSA: 62.61000
• LogP: 2.73140
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.05138412
• Heavy Atom Count: 17
• Complexity: 492

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=S=C(C(=O)N2C=C1)C3=CC=CC=C3

Technology Process of Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt

There total 1 articles about Thiazolo(3,2-a)pyrimidin-4-ium, 3-hydroxy-7-methyl-2-phenyl-, hydroxide, inner salt 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: 45.0%

(4-Methyl-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid (87125-93-7) → C13H10N2OS (86660-12-0)

Guidance literature:

In acetic anhydride; Heating;

DOI:10.1007/BF00514456

upstream raw materials:

(4-Methyl-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid

Refernces