2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1)

Basic Information

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CAS Number

61718-82-9

Molecular Formula

C19H25F3N2O6

Molecular Weight

434.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

120.0 to 124.0 deg-C

Boiling Point

370.6°C at 760 mmHg

Flash Point

9℃

Solubility

H2O: soluble

SMILES

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COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-

InChIKey

LFMYNZPAVPMEGP-PIDGMYBPSA-N

LogP

2.9133000000000004

Topological Polar Surface Area

131.44 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

446

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Faverin
(2Z)-but-2-enedioic acid; (E)-(2-aminoethoxy)({5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene})amine
SCHEMBL35225
SMR000653482
FLUVOXAMINE MALEATE (USP-RS)
(E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone O-(2-Aminoethyl)oxime Maleate
Depromel
FLUVOXAMINE MALEATE (MART.)
FLUVOXAMINE MALEATE [USP MONOGRAPH]
s1336
SR-01000075613-1
5LGN83G74V
(E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone-O-(2-aminoethyl)oxime maleate
54739-20-7
SME-3110
Luvox
HMS3884K11
Fluvoxamine hydrogenmaleate
Luvox CR
CS-1839
MLS001076285
CCG-213494
Fluvoxamine maleate (USAN:USP)
Fluvoxaminemaleate
F 2802
NSC 309469
NSC 759602
5-Methoxy-4'-trifluoromethylvalerophenone (E)-O-2-aminoethyloxime monomaleate
5-METHOXY-4'-(TRIFLUOROMETHYL)VALEROPHENONE-(E)-O-(2-AMINOETHYL)OXIME MALEATE (1:1)
(Z)-but-2-enedioic acid; 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
AS-11790

MDL Number

MFCD00269809

Customs Code

2928000090

FAQ

What is 2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1) (CAS: 61718-82-9)?

2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1), with CAS number 61718-82-9, is a complex organic compound containing a dicarboxylic acid ester group and a substituted amine. It features a pentylidene chain with a trifluoromethyl group on a phenyl ring, making it a potential pharmaceutical intermediate. The compound is characterized by its molecular structure, which includes methoxy, amino, and ester functionalities, and is often used in research for its chemical versatility.

What are the main uses of 2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1) (CAS: 61718-82-9)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of bioactive molecules. Its unique structure may also find applications in organic chemistry for creating derivatives or in industrial processes requiring functionalized esters. Additionally, it is utilized in chemical research for its potential in catalytic reactions and molecular design, though specific applications depend on further studies.

Is 2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1) (CAS: 61718-82-9) safe?

Safety of this compound requires careful handling due to its chemical complexity. While specific toxicity data is limited, it contains trifluoromethyl groups which may pose health risks. Precautions include wearing protective gloves, goggles, and clothing to avoid skin or inhalation exposure. Always follow safety standards set by OSHA and handle in well-ventilated areas. Consult safety data sheets for detailed information on its hazard profile.

How should 2-{[(E)-{5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethanamine (2Z)-2-butenedioate (1:1) (CAS: 61718-82-9) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), away from light and moisture. Keep in airtight, sealed containers to prevent degradation. Avoid exposure to humidity and direct sunlight to maintain stability. Storage conditions should be controlled to ensure chemical integrity, and it is recommended to store in a well-ventilated area to minimize risks associated with its chemical nature.