30682-81-6

Basic information

• Product Name: 4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE
• Synonyms: 4-METHYL-3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE;4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE;4-METHYL-5-TRIFLUOROMETHYL-1,2,4-TRIAZOLIN-3-THIONE;4-METHYL-5-TRIFLUOROMETHYL-4H-1,2,4-TRIAZOLIN-3(2H)-THIONE;4-METHYL-5-TRIFLUOROMETHYL-4H-1,2,4-TRIAZOLINE-3(2H)-THIONE;LABOTEST-BB LT00440946;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(trifluoromethyl)-;4-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• CAS NO: 30682-81-6
• Molecular Formula: C₄H₄F₃N₃S
• Molecular Weight: 183.15
• EINECS: 250-288-9
• Mol File: 30682-81-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 116-118 °C
• Boiling Point: 106.1 °C at 760 mmHg
• Flash Point: 18 °C
• Appearance: /solid
• Density: 1.5014 (estimate)
• Vapor Pressure: 28.7mmHg at 25°C
• Refractive Index: 1.561
• Sensitive: Stench
• CAS DataBase Reference: 4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE(30682-81-6)
• EPA Substance Registry System: 4-METHYL-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLIN-3(2H)-THIONE(30682-81-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-11
• Safety Statements: 36/37/39-26-22-16
• Hazardous Substances Data: 30682-81-6(Hazardous Substances Data)

Usage

Chemical Properties

LIGHT YELLOW CRYSTALLINE POWDER

InChI:InChI=1/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)

Upstream product

• 25366-21-6 1-trifluoroacetyl-4-methylthiosemicarbazide 
• 6610-29-3 4-methylthiosemicarbazide 

Downstream Products

• 263756-83-8 N-(3-chlorophenyl)-2-{[4-methyl-5-trifluoromethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide 
• 686289-68-9 [Cu(I)(cis-1,2-bis(diphenylphosphino)ethylene)(4-methyl-5-trifluoromethyl-4H-1,2,4-triazoline-3(2H)-thione)2] 
• 485812-18-8 [CuCl(1,3-propanebis(diphenylphosphine))(4-methyl-5-trifluoromethyl-4H-1,2,4-triazoline-3(2H)-thione)] 
• 485812-19-9 [CuBr(1,3-propanebis(diphenylphosphine))(4-methyl-5-trifluoromethyl-4H-1,2,4-triazoline-3(2H)-thione)] 
• 141463-21-0 3-<<(2R,3S)-3-<(tert-butoxycarbonyl)-amino>-4-cyclohexyl-2-hydroxy-1-butyl>thio>-4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole 
• 686289-62-3 [Cu(I)Br(cis-1,2-bis(diphenylphosphino)ethylene)(4-methyl-5-trifluoromethyl-4H-1,2,4-triazoline-3(2H)-thione)] 

Relevant articles and documents

Identifying new lead structures to enhance tolerance towards drought stress via high-throughput screening giving crops a quantum of solace

Novel synthetic lead structures interacting with RCAR/(PYR/PYL) receptor proteins were identified based on the results of a high-throughput screening campaign of a large compound library followed by focused SAR studies of the three most promising hit clusters. Whilst indolinylmethyl sulfonamides 8y,z and phenylsulfonyl ethylenediamines 9y,z showed strong affinities for RCAR/ (PYR/PYL) receptor proteins in wheat, thiotriazolyl acetamides 7f,s exhibited promising efficacy against drought stress in vivo (wheat, corn and canola) combined with confirmed target interaction in wheat and arabidopsis thaliana. Remarkably, binding affinities of several representatives of 8 and 9 were on the same level or even better than the essential plant hormone abscisic acid (ABA).

Process for the preparation of triazolinones

The invention relates to a new process and new intermediates for the preparation of triazolinones of the general formula (I) STR1 in which R1 represents in each case optionally substituted alkyl or cycloalkyl and R2 represents amino or in each case optionally substituted alkyl, alkenyl, alkinyl, alkoxy, alkylamino, dialkylamino, cycloalkyl, cycloalkylalkyl or phenyl, and to new intermediates for the preparation of triazolinones, many of which are known and which can be used as intermediates for the preparation of herbicides and insecticides.

Cephalosporin displacement reaction

The present invention is directed to a process for the displacement of the acetoxy group of a cephalosporanic acid by a sulfur nucleophile, in an organic solvent and under essentially anhydrous conditions.