(2E)-4,4,4-Trifluoro-2-butenoic acid

Name: (2E)-4,4,4-Trifluoro-2-butenoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 406-94-0
Cat. No. CS-0615523
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(2E)-4,4,4-Trifluoro-2-butenoic acid|CS-0615523

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General Information

CAS No. 406-94-0
Cat. No. CS-0615523
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₃F₃O₂
Molecular Weight 140.06
Synonym(s) None
SMILES O=C(O)/C=C/C(F)(F)F

Description

(2E)-4,4,4-Trifluoro-2-butenoic acid features a conjugated enoic acid scaffold with three fluorine atoms at the C4 position, conferring strong electron-withdrawing character and enhanced metabolic stability. This configuration enables direct use in coupling reactions without prior activation, particularly valuable for synthesizing fluorinated building blocks in medicinal chemistry and agrochemical development.

Application

(2E)-4,4,4-Trifluoro-2-butenoic acid serves as a valuable building block in synthetic organic chemistry, enabling the construction of fluorinated heterocycles and bioactive molecules. Its conjugated enoic acid structure provides enhanced stability and facilitates selective transformations, including decarboxylation, hydrogenation, and coupling reactions. The molecule’s trifluoromethyl group imparts strong electron-withdrawing character, promoting reactivity in Michael additions and facilitating functional group interconversions under mild conditions. This compound is particularly useful in medicinal chemistry for introducing lipophilic, metabolically stable motifs into target scaffolds.

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 3261
Class : 8	Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 1.1895
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Olefins

Key Words

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(2E)-4,4,4-Trifluoro-2-butenoic acid

CAS No. 406-94-0

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