Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

Base Information

• Chemical Name: Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
• CAS No.: 830346-47-9
• Molecular Formula: C13H10F4N2O2
• Molecular Weight: 302.228
• Hs Code.: 2933599090
• Mol file: 830346-47-9.mol

Synonyms:

Chemical Property of Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

Chemical Property:

• PKA: 9.49±0.40(Predicted)
• PSA: 55.12000
• Density: 1.413g/cm3
• LogP: 2.46350
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

There total 21 articles about Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- 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: 95.0%

2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene + 6-Methyluracil (626-48-2) → 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (830346-47-9)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 0 - 10 ℃; for 4h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 89.0%

6-Methyluracil (626-48-2) + 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene (239087-08-2) → 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (830346-47-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 18h; Solvent; Reagent/catalyst; Temperature;

Reference yield: 89.0%

6-Methyluracil (626-48-2) + (2-fluoro-6-(trifluoromethyl)phenyl)methanol (152211-15-9) → 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione (830346-47-9)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 5h; Solvent; Reagent/catalyst;

upstream raw materials:

4-methyleneoxetan-2-one

chloro-trimethyl-silane

N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea

Ketene

Downstream raw materials:

5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4-(1H,3H)-dione

1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione

5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methylpyrimidine-2,4(1H,3H)-dione

3-[(2R)-amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione trifluoroacetate

Refernces

• 1、 -. "Preparation method of elagolix intermediate". Paragraph 0016. . Retrieved 2021/01/25.
• 2、 -. "Substituted pyrimidine-2, 4(1H, 3H)-dione derivative and uses thereof". Paragraph 0138; 0143; 0148-0151. . Retrieved 2020/07/12.