2-(Methylthio)oxazole

Base Information

• Chemical Name: 2-(Methylthio)oxazole
• CAS No.: 201017-90-5
• Molecular Formula: C4H5NOS
• Molecular Weight: 115.156
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50448675
• Nikkaji Number: J942.290K
• Wikidata: Q82267771
• Mol file: 201017-90-5.mol

Synonyms:2-(Methylthio)oxazole;201017-90-5;Oxazole, 2-(methylthio)-;2-methylsulfanyl-1,3-oxazole;2-methylthiooxazole;2-(methylsulfanyl)-1,3-oxazole;SCHEMBL3026407;DTXSID50448675;DS-19047;CS-0186447;FT-0728701;O10533;EN300-3442353

Chemical Property of 2-(Methylthio)oxazole

Chemical Property:

• PSA: 51.33000
• LogP: 1.39650
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 115.00918496
• Heavy Atom Count: 7
• Complexity: 59.7

Purity/Quality:

98%min ^*data from raw suppliers

2-(Methylthio)oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=CO1

Technology Process of 2-(Methylthio)oxazole

There total 2 articles about 2-(Methylthio)oxazole 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: 76.0%

oxazole-2(3H)-thione (32091-51-3) + methyl iodide (74-88-4) → 2-(methylthio)oxazole (201017-90-5)

Guidance literature:

With potassium hydride; In tetrahydrofuran; for 3.25h;

DOI:10.1021/jo971410h

Reference yield: 69.0%

2-mercapto-1,3-oxazole (32091-51-3) + methyl iodide (74-88-4) → 2-(methylthio)oxazole (201017-90-5)

Guidance literature:

2-mercapto-1,3-oxazole; With potassium hydride; In tetrahydrofuran; at -60 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at -60 ℃; for 3.5h; Inert atmosphere;

DOI:10.1021/ol900260g

Reference yield: 91.7%

2-(methylthio)oxazole (201017-90-5) + (4-(trifluoromethyl)phenyl)zinc(II) chloride (125102-17-2) → 2-(4-(trifluoromethyl)phenyl)oxazole (1133215-75-4)

Guidance literature:

With bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at 60 - 65 ℃; for 6h; Inert atmosphere;

DOI:10.1021/ol900260g

upstream raw materials:

oxazole-2(3H)-thione

methyl iodide

2-mercapto-1,3-oxazole

Downstream raw materials:

2-(3-phenylpropyl)oxazole

2-phenyloxazole

2-(p-tolyl)oxazole

2-benzyl-oxazole