4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine

Base Information

• Chemical Name: 4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine
• CAS No.: 956721-96-3
• Molecular Formula: C8H7N3OS
• Molecular Weight: 193.229
• Hs Code.: 2934999090
• Mol file: 956721-96-3.mol

Synonyms:4-(2-(Methylthio)pyrimidin-4-yl)isoxazole;4-(isoxazol-4-yl)-2-(methylthio)pyrimidine;

Chemical Property of 4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine

Chemical Property:

• Boiling Point: 399.105 °C at 760 mmHg
• Flash Point: 195.172 °C
• PSA: 77.11000
• Density: 1.366 g/cm³
• LogP: 1.85350
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-(2-(Methylthio)pyrimidin-4-yl)isoxazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine

There total 3 articles about 4-(Isoxazol-4-yl)-2-(methylthio)pyrimidine 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: 81.2%

(E)-3-hydroxy-2-(2-(methylthio)pyrimidin-4-yl)acrylaldehyde (1111637-80-9) → 2-(methylsulfanyl)-4-(1,2-oxazol-4-yl)pyrimidine (956721-96-3)

Guidance literature:

With hydroxylamine hydrochloride; In water; at 60 ℃; for 2h;

Reference yield: 49.0%

[(2E)-3-(dimethylamino)-2-[2-(methylsulfanyl)pyrimidin-4-yl]prop-2-en-1-ylidene]dimethylazanium chloride → 2-(methylsulfanyl)-4-(1,2-oxazol-4-yl)pyrimidine (956721-96-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In water; at 20 ℃; for 5h;

Reference yield:

2-methylthio-4-methylpyrimidine (14001-63-9) → 2-(methylsulfanyl)-4-(1,2-oxazol-4-yl)pyrimidine (956721-96-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl dichloride / chloroform / 0.5 h / 0 - 45 °C

1.2: 16 h / 0 - 45 °C

2.1: hydroxylamine hydrochloride; sodium carbonate / water / 5 h / 20 °C

With oxalyl dichloride; hydroxylamine hydrochloride; sodium carbonate; In chloroform; water;

upstream raw materials:

(E)-3-hydroxy-2-(2-(methylthio)pyrimidin-4-yl)acrylaldehyde

2-methylthio-4-methylpyrimidine

Downstream raw materials:

2-[2-(methylsulfanyl)pyrimidin-4-yl]-3-oxopropanenitrile

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