1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA

Base Information

• Chemical Name: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
• CAS No.: 830346-46-8
• Molecular Formula: C9H8F4N2O
• Molecular Weight: 236.169
• Mol file: 830346-46-8.mol

Synonyms:Urea,[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]- (9CI);N-[2-Fluoro-6-(trifluoromethyl)benzyl]urea;

Chemical Property of 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.477
• Boiling Point: 268.828 °C at 760 mmHg
• PKA: 12.86±0.46(Predicted)
• Flash Point: 116.384 °C
• PSA: 55.12000
• Density: 1.393 g/cm³
• LogP: 3.10400
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%, ^*data from raw suppliers

1-(2-Fluoro-6-(trifluoromethyl)benzyl)urea 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.

Technology Process of 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA

There total 8 articles about 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA 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: 91.3%

tert-butyl (2-fluoro-6-(trifluoromethyl)benzyl)carbamate + urea (57-13-6) → N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea (830346-46-8)

Guidance literature:

With hydrogenchloride; In water; for 10h; Reflux;

Reference yield: 91.0%

urea (57-13-6) + (2-fluoro-6-(trifluoromethyl) phenyl)methanamine (239087-06-0) → N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea (830346-46-8)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield: 72.0%

potassium cyanate (590-28-3) + 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride (643088-07-7) → N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea (830346-46-8)

Guidance literature:

With ammonium chloride; In water; at 120 ℃; for 0.25h; Microwave irradiation; Sealed tube;

DOI:10.1002/ejoc.202101059

upstream raw materials:

urea

(2-fluoro-6-(trifluoromethyl) phenyl)methanamine

2-fluoro-6-(trifluoromethyl)benzonitrile

2-fluoro-6-(trifluoromethyl)benzaldehyde

Downstream raw materials:

1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

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

4-((R)-2-[5-(2- fluoro-3-methoxy-phenyl)-3-(2-fluoro-6-trifluoromethyl-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl ]-1- phenylethylamino)-butyric acid