109317-78-4

Basic information

• Product Name: (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one
• CAS NO: 109317-78-4
• Molecular Formula: C₈H₁₁F₃O₂
• Molecular Weight: 196.1669
• Mol File: 109317-78-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 155°C at 760 mmHg
• Flash Point: 46.9°C
• Density: 1.126g/cm³
• Vapor Pressure: 3.09mmHg at 25°C
• Refractive Index: 1.391
• CAS DataBase Reference: (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one(109317-78-4)
• EPA Substance Registry System: (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one(109317-78-4)

Safety Data

• Hazardous Substances Data: 109317-78-4(Hazardous Substances Data)

Usage

General Description

(3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one is a chemical compound with the formula C8H11F3O2. It is an enone, which means it contains a carbon-carbon double bond and a ketone functional group. The "3E" in the name refers to the stereochemistry of the double bond, indicating that the butoxy group and the trifluoromethyl group are on opposite sides of the double bond. (3E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one may be used as a building block in organic synthesis or as a starting material for the production of other compounds. Its specific properties and potential uses would depend on the context in which it is being used.

Upstream product

• 111-34-2 -butyl vinyl ether 
• 407-25-0 trifluoroacetic anhydride 
• 354-32-5 trifluoracetyl chloride 
• 76-05-1 trifluoroacetic acid 

Downstream Products

• 116548-03-9 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide 
• 1001924-23-7 potassium (2Z,4E)-5-cyano-1,1,1-trifluoro-5-methoxycarbonylpenta-2,4-dien-2-olate 
• 144740-55-6 1,2-dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid methyl ester 
• 117519-07-0 3-nitro-6-(trifluoromethyl)-2(1H)-pyridinone 
• 144740-55-6 methyl 2-hydroxy-6-(trifluoromethyl)nicotinate 
• 117519-07-0 3-nitro-6-(trifluoromethyl)pyridin-2-ol 
• 116548-04-0 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 
• 116548-05-1 3-acetyl-6-(trifluoromethyl)-2(1H)-pyridinone 

Relevant articles and documents

HETEROCYCLIC AMIDE COMPOUND

PROBLEM TO BE SOLVED: To provide a heterocyclic amide compound useful as an active ingredient of a herbicide. SOLUTION: The present disclosure provides a heterocyclic amide compound represented by the following formula or a salt thereof. Q-N(R3)-C(=X)-W (Q: a substituted/unsubstituted 1,3,4-oxadiazole, 1,2,5-oxadiazole or the like. W: a substituted/unsubstituted [1,2,4]triazolo[4,3-a]pyridine or the like. X: O, S. R3: H, C1-C6 alkyl or the like). SELECTED DRAWING: None COPYRIGHT: (C)2021,JPOandINPIT

HETEROCYCLIC AMIDO COMPOUND

PROBLEM TO BE SOLVED: To provide a novel pesticide, especially a herbicide. SOLUTION: There are provided a heterocycle amide compound such as 3-isopropyl-N-(5-methyl-1, 3, 4-oxadiazole-2-yl)-5-(trifluoromethyl)-[1, 2, 4]triazolo [4,3-a] pyridine-8-carboxamide (compound No.1-004), 3-isopropyl-N-(5-methyl-1, 3, 4-oxadiazole-2-yl)-5-(methylthio)-[1,2,4] triazolo [4,3-a] pyridine-8-carboxamide (compound No.1-009), and a herbicide containing them. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

Process for producing 4-trifluoromethylnicotinic acid

A process for producing 4-trifluoromethylnicotinic acid of the formula (VIII) or its salt: STR1 which comprises (i) a first step of reacting a halide of the formula (I): wherein Hal is a halogen atom, with a compound of the formula (II): wherein R1 is an alkyl group, in the presence of a base to obtain a 4-alkoxy-1,1,1-trifluoro-3-buten-2-one of the formula (III): wherein R1 is as defined above, and reacting this compound with ammonia to obtain 4-amino-1,1,1-trifluoro-3-buten-2-one of the formula (IV): STR2 and (ii) a second step of subjecting the 4-amino-1,1,1-trifluoro-3-buten-2-one obtained in the first step and a compound of the formula (V): wherein R2 is an ester-forming residue, and A is (R3 O)CH=CH-- or (R3 O)2 CHCH2 --, wherein R3 is an alkyl group, to a condensation reaction to obtain a compound of the formula (VI) (inclusive of its salt): STR3 wherein R2 is as defined above, and/or a compound of the formula (VII) (inclusive of its salt): STR4 wherein R2 and R3 are as defined above, as the reaction product, and then subjecting the reaction product to ring closure and hydrolysis.