13114-87-9

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)PHENYLUREA
• Synonyms: [3-(trifluoromethyl)phenyl]-ure;3-(trifluoromethyl)phenyl;3-(TRIFLUOROMETHYL)PHENYLUREA;AKOS B028824;3-(Trifluoromethyl)phenylurea98%;1-(3-Trifluoromethylphenyl) moy;1-[3-(Trifluoromethyl)phenyl]urea;Didemethylfluometuron
• CAS NO: 13114-87-9
• Molecular Formula: C₈H₇F₃N₂O
• Molecular Weight: 204.15
• EINECS: 236-040-2
• Mol File: 13114-87-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 101-103
• Boiling Point: 237°Cat760mmHg
• Flash Point: 97.2°C
• Appearance: /
• Density: 1.425g/cm³
• Vapor Pressure: 0.0458mmHg at 25°C
• Refractive Index: 1.532
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.42±0.50(Predicted)
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)PHENYLUREA(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)PHENYLUREA(13114-87-9)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)PHENYLUREA(13114-87-9)

Safety Data

• Hazard Codes: T
• Hazardous Substances Data: 13114-87-9(Hazardous Substances Data)

Usage

General Description

3-(Trifluoromethyl)phenylurea is a chemical compound comprising a urea group bonded to a phenyl group with a trifluoromethyl group attached. This organic compound is primarily known for its use in scientific and industrial applications. Due to the presence of the trifluoromethyl group, this chemical exhibits unique properties such as increased bond strength and stability, making it useful in various chemical reactions. However, like many chemical substances, it needs to be handled with care due to potential health and environmental hazards. As this is a specialized chemical, it is mostly used in professional settings under controlled conditions.

InChI:InChI=1/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)

Upstream product

• 454-92-2 3-(trifluoromethyl)benzoic acid 
• 917-61-3 sodium isocyanate 
• 98-16-8 3-trifluoromethylaniline 
• 590-28-3 potassium cyanate 
• 75-13-8 isocyanic acid 

Downstream Products

• 2164-17-2 fluometuron 
• 210235-63-5 1-((E)-2-Cyano-3-oxo-3-phenyl-propenyl)-3-(3-trifluoromethyl-phenyl)-urea 
• 675103-26-1 ethyl (rac)-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate 
• 671776-88-8 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-cyanoethyl ester 
• 671775-86-3 4-{5-acetyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile 
• 671775-91-0 4-{6-methyl-5-(4-morpholinylcarbonyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}benzonitrile 
• 671775-92-1 4-(4-cyanophenyl)-N,N-diethyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide 
• 675103-22-7 6-amino-4-(4-cyanophenyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 
• 671776-48-0 4-{5-isobutyryl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}-benzonitrile 
• 864151-32-6 allyl 4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylate 
• 904958-42-5 C₂₇H₂₀F₃N₃O₃ 
• 1219793-52-8 C₂₁H₁₇F₃N₂O₅ 
• 1625672-36-7 4-(4-bromo-2-(methylsulfonyl)phenyl)-1-(3-(trifluoromethyl)phenyl)-3,4,7,8-tetrahydroquinazoline-2,5(1H,6H)-dione 
• 1625672-29-8 1-((5-cyanopyridin-2-yl)(2-hydroxy-6-oxocyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea 

Relevant articles and documents

Direct conversion of carboxylic acids to various nitrogen-containing compounds in the one-pot exploiting curtius rearrangement

Herein we report, a single-pot multistep conversion of inactivated carboxylic acids to various N-containing compounds using a common synthetic methodology. The developed methodology rendered the use of carboxylic acids as a direct surrogate of primary amines, for the synthesis of primary ureas, secondary/tertiary ureas, O/S-carbamates, benzoyl ureas, amides, and N-formyls, exploiting the Curtius reaction. This approach has a potential to provide a diversified library of N-containing compounds, starting from a single carboxylic acid, based on the selection of the nucleophile.

Design and biological evaluation of novel 4-(2-fluorophenoxy)quinoline derivatives bearing an imidazolone moiety as c-Met kinase inhibitors

A series of 4-(2-fluorophenoxy)quinoline derivatives containing an imidazolone moiety were designed, synthesized and evaluated for their in vitro biological activities against c-Met kinase and four cancer cell lines (A549, H460, HT-29 and MKN-45). Most compounds showed moderate to excellent activities in enzyme and cellular assays. The most promising analog, 58 (c-Met IC50 = 1.42 nM), displayed 2.1-, 8.6-fold increase against H460, and MKN-45 cell lines, respectively, compared with foretinib. An analysis of structure-activity relationships revealed that an ortho substituted phenyl ring as well as an N-unsubstituted imidazolone linker is favorable for antitumor activity.

THE CLAIMED INVENTION RELATES TO NOVEL 4-PIPERIDINECARBOXAMIDE AND THE USE THEREOF FOR THE PREPARATION OF MEDICAMENTS AGAINST 5-HT2A RECEPTOR-RELATED DISORDERS

The present invention relates to compounds of Formula (I) wherein R and R′ are as described herein, processes for preparing the compounds, pharmaceutical compositions comprising the compounds, and use of the compounds and compositions in the prophylaxis or treatment of a 5-HT2A receptor-related disorder.