830346-46-8

Basic information

• Product Name: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
• Synonyms: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA;1-(2-fluoro-6-(trifluoromethyl)benzyl)urea;1-2-Fluoro-6-trifluoromethylbenzyl urea;{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea;(2-Fluoro-6-trifluoromethyl-benzyl)-urea;elagolix intermediate 3;Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-;Eelagolix-2
• CAS NO: 830346-46-8
• Molecular Formula: C₉H₈F₄N₂O
• Molecular Weight: 236.1662328
• Mol File: 830346-46-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 268.828 °C at 760 mmHg
• Flash Point: 116.384 °C
• Appearance: /
• Density: 1.393 g/cm³
• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.477
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.86±0.46(Predicted)
• CAS DataBase Reference: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA(830346-46-8)
• EPA Substance Registry System: 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA(830346-46-8)

Safety Data

• Hazardous Substances Data: 830346-46-8(Hazardous Substances Data)

Usage

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.

Synthesis

In a 250 ml three-necked flask, 3.4 g of E6, 20 ml of water, 4.23 g of urea, and hydrochloric acid (12 mol / L, 2 ml) were added. After refluxing for 3 hours, the reaction solution was cooled to 4 ° C with an ice water bath, and filtered to obtain 3.78 g of a white solid ( Yield: 91%).

InChI:InChI=1/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)

Upstream product

• 590-28-3 potassium cyanate 
• 643088-07-7 2-fluoro-6-(trifluoromethyl)benzylamine hydrochloride 
• 57-13-6 urea 
• 401-80-9 3-fluoro-trifluoromethylbenzene 
• 68-12-2 N,N-dimethyl-formamide 
• 60611-24-7 2-fluoro-6-(trifluoromethyl)benzaldehyde 
• 133116-83-3 2-fluoro-6-(trifluoromethyl)benzonitrile 
• 239087-06-0 (2-fluoro-6-(trifluoromethyl) phenyl)methanamine 
• 239087-08-2 2-(bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene 

Downstream Products

• 830346-47-9 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 
• 830346-48-0 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4-(1H,3H)-dione 
• 869984-25-8 C₂₇H₂₈BrF₄N₃O₅ 
• 869984-51-0 C₂₆H₂₆BrF₄N₃O₅ 
• 869984-30-5 C₂₈H₃₀BrF₄N₃O₅ 
• 869984-34-9 C₂₇H₂₈BrF₄N₃O₅ 
• 869984-48-5 C₂₈H₂₇BrF₄N₄O₅ 
• 869984-31-6 C₃₄H₃₅F₄N₃O₅ 
• 869984-32-7 C₃₃H₃₃F₄N₃O₅ 
• 869984-35-0 C₃₃H₃₈BrF₄N₃O₇ 
• 869984-33-8 C₃₇H₃₉F₄N₃O₇ 

Relevant articles and documents

Preparation method of olagolide intermediate

The present invention relates to a method for preparing a lacolagoli intermediate 5-bromo-1- {[2-fluoro-6-(trifluoromethyl)phenyl] methyl}-6-methyl-2,4 (1H, 3H) pyrimidinedione (compound of formula I), in particular, a compound of formula III with 2-fluor

Preparation method of 1-(2-fluoro-6-(trifluoromethyl)benzyl)urea

The invention discloses a preparation method of 1-(2-fluoro-6-(trifluoromethyl)benzyl)urea. The preparation method comprises the following steps: reducing a compound 2-fluoro-6-(trifluorophenyl)cyanophenyl into a compound (2-fluoro-6-(trifluoromethyl)benzyl)tert-butyl carbamate through a reducing agent under the condition that a catalyst and di-tert-butyl dicarbonate participate; and then reactingthe compound (2-fluoro-6-(trifluoromethyl)benzyl)tert-butyl carbamate with urea in a hydrochloric acid solution to obtain a key intermediate compound 1-(2-fluoro-6-(trifluoromethyl)benzyl)urea of elagolix. The method has the beneficial effects of avoidance of the use of toxic reagents, mild reaction conditions, low cost, high yield, simplified route, and suitability for industrial large-scale production.

Preparation method of C13H10F4N2O2

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