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2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- is a chemical compound with the molecular formula C7H9F3O2. It is an ester derivative of 2-butenoic acid, featuring a trifluoromethyl group at the 4th carbon and an ethyl ester group at the 1st carbon. 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- is characterized by its (E)-configuration, indicating the geometric arrangement of the double bond. It is an organic compound with potential applications in the synthesis of pharmaceuticals and agrochemicals due to its unique structure and reactivity. The compound's properties, such as its boiling point, melting point, and solubility, can be influenced by its molecular structure and the presence of the fluorine atoms, which can affect its lipophilicity and reactivity.

691-77-0

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691-77-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 691-77-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,9 and 1 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 691-77:
(5*6)+(4*9)+(3*1)+(2*7)+(1*7)=90
90 % 10 = 0
So 691-77-0 is a valid CAS Registry Number.

691-77-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-3-trifluoromethyl-2-butenoic acid ethyl ester

1.2 Other means of identification

Product number -
Other names 4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:691-77-0 SDS

691-77-0Relevant academic research and scientific papers

Synthesis of new β-trifluoromethyl containing GABA and β-fluoromethyl containing N-benzylpyrrolidinones

Gerus, Igor I.,Mironets, Roman V.,Shaitanova, Elena N.,Kukhar, Valery P.

scheme or table, p. 224 - 228 (2010/04/30)

A whole series of 3-(mono-, di-, trifluoro)methyl-substituted N-benzylpyrrolidinones 5a-c was synthesized by deoxyfluorination of corresponding 3-functionalized N-benzylpyrrolidinones. New β-trifluoromethyl containing GABA 4a was obtained in two alternative ways: by successive hydrolysis and hydrogenolysis of 3-trifluoromethyl N-benzylpyrrolidinone 5a and from trifluoroacetone as starting compound.

1-Bromo-3-trifluoromethylbut-2-ene: synthesis and electrophilic reactivity

Martin, Valerie,Molines, Huguette,Wakselman, Claude

, p. 63 - 68 (2007/10/02)

A three-step synthesis of 1-bromo-3-trifluoromethylbut-2-ene in 54percent overall yield is reported starting from 1,1,1-trifluoroacetone.The electrophilic reactivity of this compound towards various nucleophiles has been studied.Thus, for example, condensation with the sodium salt of diethyl malonate gave ethyl 2-carboethoxy-5-trifluoromethylhex-4-enoate in 66percent yield.

Antiinflammatory activity of a series of substituted 2,3-dihydro-6-hydroxypyrimido[2,1-f]purine-4,8(1H,9H)-diones

Kaminski,Solomon,Conn,Wong,Chiu,Massa,Siegel,Watnick

, p. 1118 - 1127 (2007/10/02)

A series of substituted analogues based on the novel 2,3-dihydro-6-hydroxypyrimido[2,1-f]purine-4,8(1H,9H)-dione ring system have been synthesized and shown to exhibit antiinflammatory activity in the adjuvant-induced arthritis rat model (AAR). The activi

Efforts in Synthesizing α,β-Unsaturated Trifluoromethyl-substituted Aldehydes

Abele, Herbert,Haas, Alois,Lieb, Max

, p. 3502 - 3506 (2007/10/02)

Hexafluoroacetone reacts with ethynylmagnesium bromide to yield (CF3)2C(OH)-CCH (1).Bromine can be added to the triple bond affording the cis/trans-isomer 2.With PCl5 1 yields the allene (CF3)2C=C=CClH (3).The addition of a metalated Schiff base to hexafluoroacetone leads to 4a which on hydrolysis yields (CF3)2C(OH)-CH2-CHO (4b).The reaction of (EtO)2P(O)CH2-R (R = CHO, CO2Et) with hexafluoroacetone gives α,β-unsaturated aldehydes or esters 6. 1,1,1-Trifluoroacetone provides analogous reactions.

Synthesis and Thermolysis of Highly Halogenated Δ1-Pyrazolines

Huff, Roger K.,Savins, Eric G.

, p. 742 - 743 (2007/10/02)

The pyrolysis of highly halogenated Δ1-pyrazolines gives, in addition to cyclopropanes, rearranged olefins.

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