4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE

Base Information

• Chemical Name: 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
• CAS No.: 16097-63-5
• Molecular Formula: C6H4 Cl F3 N2 S
• Molecular Weight: 228.625
• Hs Code.: 29335990
• Mol file: 16097-63-5.mol

Synonyms:4-Chloro-2-(methylthio)-6-(trifluoromethyl)pyrimidine;NSC 64344

Chemical Property of 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE

Chemical Property:

• Vapor Pressure: 0.0676mmHg at 25°C
• Melting Point: 38-39℃ (ethyl acetate ligroine )
• Refractive Index: 1.5050 (25℃)
• Boiling Point: 237.8°Cat760mmHg
• PKA: -5.28±0.32(Predicted)
• Flash Point: 97.6°C
• PSA: 51.08000
• Density: 1.52g/cm³
• LogP: 2.87070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Stench

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE

There total 5 articles about 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)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: 90.0%

4-hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine (16097-62-4) → 4-Chloro-2-methylthio-6-(trifluoromethyl)pyrimidine (16097-63-5)

Guidance literature:

With trichlorophosphate; at 120 ℃; for 3h;

DOI:10.1021/acsmedchemlett.6b00489

Reference yield:

6-trifluoromethyl-4-hydroxy-2-mercaptopyrimidine (368-54-7) → 4-Chloro-2-methylthio-6-(trifluoromethyl)pyrimidine (16097-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / NaOH / H₂O / 1) RT, 3 h; 2) reflux, 5 min

2: 70 percent / POCl₃ / dimethylaniline

With sodium hydroxide; trichlorophosphate; 2,3-Dimethylaniline; In water;

DOI:10.1002/jhet.5570200145

Reference yield:

4-iodo-2-(methylthio)pyrimidine (1122-74-3) → 4-Chloro-2-methylthio-6-(trifluoromethyl)pyrimidine (16097-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / copper(I) iodide, KF, iododiazine / dimethylformamide / 10 h / 115 °C

2: 1.) n-BuLi, 2,2,6,6-tetramethylpiperidine, 2.) hexachloroethane / 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, hexane, -78 deg C, 2 h

With 2,2,6,6-tetramethyl-piperidine; potassium fluoride; copper(l) iodide; n-butyllithium; hexachloroethane; 3-Iodopyridazine; In N,N-dimethyl-formamide;

upstream raw materials:

4-hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine

2-(methylthio)-4-(trifluoromethyl)pyrimidine

4-iodo-2-(methylthio)pyrimidine

6-trifluoromethyl-4-hydroxy-2-mercaptopyrimidine

Downstream raw materials:

4-N-Methylanilino-2-methylthio-6-trifluoromethylpyrimidine

4-methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine

4-Amino-2-methylthio-6-trifluoromethylpyrimidine

2-methylphenylamino-4-trifluoromethyl-6-pyrimidinol