2,6-Bis(trifluoromethyl)-4-pyrimidinol

Base Information

• Chemical Name: 2,6-Bis(trifluoromethyl)-4-pyrimidinol
• CAS No.: 884-30-0
• Molecular Formula: C₆H₂F₆N₂O
• Molecular Weight: 232.085
• Hs Code.: 2933599090
• Mol file: 884-30-0.mol

Synonyms:4(1H)-Pyrimidinone,2,6-bis(trifluoromethyl)- (9CI); 4-Pyrimidinol, 2,6-bis(trifluoromethyl)-(7CI,8CI); 2,6-Bis(trifluoromethyl)-4-hydroxypyrimidine;6-Hydroxy-2,4-bis(trifluoromethyl)pyrimidine; NSC 53129

Chemical Property of 2,6-Bis(trifluoromethyl)-4-pyrimidinol

Chemical Property:

• Vapor Pressure: 1.374mmHg at 25°C
• Boiling Point: 166.165°C at 760 mmHg
• Flash Point: 54.295°C
• PSA: 45.75000
• Density: 1.642g/cm³
• LogP: 1.80750

Purity/Quality:

99% ^*data from raw suppliers

2,6-Bis(trifluoromethyl)pyrimidin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,6-Bis(trifluoromethyl)-4-pyrimidinol

There total 4 articles about 2,6-Bis(trifluoromethyl)-4-pyrimidinol 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: 48.0%

pyridinium 4,5-dihydro-4-oxo-2,6-bis(trifluoromethyl)pyrimidin-5-ylide (87378-59-4) → 4-hydroxy-2,6-bis(trifluoromethyl)pyrimidine (884-30-0)

Guidance literature:

With acetic acid; zinc; In diethyl ether; for 2h;

Reference yield:

trifluoroacetamidine (354-37-0,133640-88-7,133640-89-8) + ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → 4-hydroxy-2,6-bis(trifluoromethyl)pyrimidine (884-30-0)

Guidance literature:

trifluoroacetamidine; ethyl 4,4,4-trifluoroacetoacetate; With sodium methylate; In methanol; for 20h; Reflux;

With hydrogenchloride; In methanol; water;

Reference yield:

trifluoroacetonitrile (353-85-5) + diethyl malonate (105-53-3) → 4-hydroxy-2,6-bis(trifluoromethyl)pyrimidine (884-30-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; potassium tert-butylate; Yield given. Multistep reaction; 1) THF, <60 deg C; 2) THF; 3) H2O, reflux, 2 h; 4) 80 deg C;

DOI:10.1002/jhet.5570260102

upstream raw materials:

pyridinium 4,5-dihydro-4-oxo-2,6-bis(trifluoromethyl)pyrimidin-5-ylide

trifluoroacetonitrile

diethyl malonate

trifluoroacetamidine

Refernces

• 1、 Sing,Lee. "A facile one step synthesis of novel ethyl 2,6-bis(trifluoromethyl)-4-hydroxypyrimidine-5-carboxylate". . p. 7 - 9. Retrieved 2007/10/02.
• 2、 Banks, Ronald Eric,Thomson, Julie. "Reaction of Pyridinium t-Butoxycarbonylmethylide with Trifluoroacetonitrile". . p. 589 - 592. Retrieved 2007/10/02.