4,6-Pyrimidinediol, 1,2-dihydro-5-nitro-2-(trifluoromethyl)-

Base Information

• Chemical Name: 4,6-Pyrimidinediol, 1,2-dihydro-5-nitro-2-(trifluoromethyl)-
• CAS No.: 652-62-0
• Molecular Formula: C5H2F3N3O4
• Molecular Weight: 225.08
• Hs Code.: 2933599090
• Mol file: 652-62-0.mol

Synonyms:4,6-PYRIMIDINEDIOL, 1,2-DIHYDRO-5-NITRO-2-(TRIFLUOROMETHYL)-;5-Nitro-2-(trifluoroMethyl)-1,2-dihydropyriMidine-4,6-diol

Chemical Property of 4,6-Pyrimidinediol, 1,2-dihydro-5-nitro-2-(trifluoromethyl)-

Chemical Property:

• Vapor Pressure: 0.0752mmHg at 25°C
• Boiling Point: 220.7°C at 760 mmHg
• PKA: 5.72±0.50(Predicted)
• Flash Point: 87.3°C
• PSA: 110.67000
• Density: 1.905g/cm³
• LogP: 0.72590

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,6-Pyrimidinediol, 1,2-dihydro-5-nitro-2-(trifluoromethyl)-

There total 2 articles about 4,6-Pyrimidinediol, 1,2-dihydro-5-nitro-2-(trifluoromethyl)- 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:

2-trifluoromethyl-4,6-dihydroxypyrimidine (672-47-9) → 5-nitro-2-trifluoromethyl-1H-pyrimidine-4,6-dione (652-62-0)

Guidance literature:

2-trifluoromethyl-4,6-dihydroxypyrimidine; With trifluoroacetic acid; at 20 ℃; for 15h;

With nitric acid; at 25 ℃;

Reference yield:

→ 5-nitro-2-trifluoromethyl-1H-pyrimidine-4,6-dione (652-62-0)

Guidance literature:

4,6-Dihydroxy-2-trifluormethyl-pyrimidin, HNO3(70percentig);

Reference yield:

5-nitro-2-trifluoromethyl-1H-pyrimidine-4,6-dione (652-62-0) → 3-{[(2R)-4-benzylmorpholin-2-yl]methyl}-5-(trifluoromethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine (1305115-74-5)

Guidance literature:

Multi-step reaction with 5 steps

1.1: N-ethyl-N,N-diisopropylamine; trichlorophosphate; phosphoric acid / 20 - 45 °C / Inert atmosphere

2.1: acetic acid; iron / 1.25 h / 50 °C

3.1: sodium carbonate / acetonitrile / 36 h / 80 °C

4.1: hydrogenchloride; sodium nitrite / water; 2-methyltetrahydrofuran / 1.17 h / 20 °C

4.2: pH 9 - 10

5.1: ammonium hydroxide / 2-methyltetrahydrofuran / 80 °C / Sealed tube

With hydrogenchloride; ammonium hydroxide; phosphoric acid; iron; sodium carbonate; acetic acid; N-ethyl-N,N-diisopropylamine; sodium nitrite; trichlorophosphate; In 2-methyltetrahydrofuran; water; acetonitrile;

upstream raw materials:

2-trifluoromethyl-4,6-dihydroxypyrimidine

Downstream raw materials:

4,6-dichloro-5-nitro-2-trifluoro-methyl-pyrimidine

4,6-dichloro-2-trifluoromethyl-pyrimidin-5-ylamine

N₄-{[(2S)-4-Benzylmorpholin-2-yl]methyl}-6-chloro-2-(trifluoromethyl)pyrimidine-4,5-diamine

3-{[(2R)-4-benzylmorpholin-2-yl]methyl}-7-chloro-5-(trifluoromethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

Refernces

• 1、 -. "SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS". Page/Page column 35-36. . Retrieved 2011/06/16.