Flurazole

Base Information

• Chemical Name: Flurazole
• CAS No.: 72850-64-7
• Molecular Formula: C12H7 Cl F3 N O2 S
• Molecular Weight: 321.707
• Hs Code.: 2934100090
• European Community (EC) Number: 276-942-3
• UNII: 07H7L3RT69
• DSSTox Substance ID: DTXSID5052468
• Nikkaji Number: J248.077H
• Wikidata: Q3074522
• Mol file: 72850-64-7.mol

Synonyms:benzyl 2-chloro-4-trifluoromethyl-1,3-thiazole-5-carboxylate;flurazole

Chemical Property of Flurazole

Chemical Property:

• Vapor Pressure: 4.75E-07mmHg at 25°C
• Melting Point: 52 °C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 413.6oC at 760 mmHg
• PKA: -4.23±0.10(Predicted)
• Flash Point: 203.9oC
• PSA: 67.43000
• Density: 1.488g/cm3
• LogP: 4.17230
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 320.9838118
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

99%, ^*data from raw suppliers

2-Chloro-4-(trifluoromethyl)-5-thiazolecarboxylicacidphenylmethylester 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=C(N=C(S2)Cl)C(F)(F)F

Technology Process of Flurazole

There total 5 articles about Flurazole 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: 53.0%

2-chloro-4-(trifluoromethyl)-5-thiazolecarbonyl chloride (72850-62-5) + benzyl alcohol (100-51-6,185532-71-2) → benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate (72850-64-7)

Guidance literature:

at 130 - 140 ℃; for 6h;

Reference yield:

ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate (72850-53-4) → benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate (72850-64-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 92 percent / POCl₃ / Heating

2: 73 percent / aq. NaOH / tetrahydrofuran / 16 h / Ambient temperature

3: 98 percent / SOCl₂ / 6 h / Heating

4: 53 percent / 6 h / 130 - 140 °C

With sodium hydroxide; thionyl chloride; trichlorophosphate; In tetrahydrofuran;

Reference yield:

ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate (72850-52-3) → benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate (72850-64-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / aq. NaOH / tetrahydrofuran / 16 h / Ambient temperature

2: 98 percent / SOCl₂ / 6 h / Heating

3: 53 percent / 6 h / 130 - 140 °C

With sodium hydroxide; thionyl chloride; In tetrahydrofuran;

upstream raw materials:

2-chloro-4-(trifluoromethyl)-5-thiazolecarbonyl chloride

benzyl alcohol

ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate

2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid

Refernces

• 1、 -. "Plants Tolerant to HPPD Inhibitor Herbicides". . . Retrieved 2011/08/22.
• 2、 -. "Plants Tolerant to HPPD Inhibitor Herbicides". . . Retrieved 2011/08/22.