CAS 291756-76-8

N-[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate

Description:

N-[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate is a quaternary ammonium compound characterized by its complex structure, which includes a chloroalkene moiety and a hexafluorophosphate counterion. This substance typically exhibits properties associated with ionic compounds, such as high solubility in polar solvents and potential conductivity in solution. The presence of the dimethylamino group suggests it may have basic properties, while the hexafluorophosphate anion contributes to its stability and solubility. The compound is likely to be used in various applications, including organic synthesis and as a reagent in chemical reactions, particularly in the field of medicinal chemistry or materials science. Its unique structure may also impart specific reactivity or interaction characteristics, making it of interest for research in drug development or catalysis. Safety data should be consulted, as quaternary ammonium compounds can exhibit toxicity and environmental persistence.

Formula: C₇H₁₄ClF₆N₂P

InChI: InChI=1/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1

Synonyms:

• 2-Chloro-1,3-Dimethylamino Trimethinium Hexafluorophosphate
• N-[(2Z)-2-Chloro-3-(dimethylamino)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate
• 2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-)
• 2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1)
• (Z)-N-[2-Chloro-3-(diMethylaMino)allylidene]-N-MethylMethanaMiniuM Hexafluorophosphate
• (Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
• Chloro-1,3-Bis(Dimethylamino)TrimethiniumHexafluorophosphate
• (Z)-N-(2-Chloro-3-(diMethylaMino)allylidene)-N-MethylMethanaMiniuM hexafluorophosphate(V)
• Chloro-1,3-dimethylamino trimethinium Hexafluorophosphate
• Etoricoxib Intermediate 4
• Hexaflurophosphate
• (2Z)-2-Chloro-3-(DiMethylaMino)-N,N-DiMethyl-2-Propen-1-IMiniuM Hexafluorophosphate
• Vinamidinium hexaflurophophate

2-Propen-1-aminium, 2-chloro-3-(dimethylamino)-N,N-dimethyl-, (2Z)-, hexafluorophosphate(1-) (1:1)

CAS: 291756-76-8

Formula: C₇H₁₄ClF₆N₂P

Purity: 98%

Color and Shape: Solid

Molecular weight: 306.6166

Ref: IN-DA002XKJ

Etoricoxib Impurity 56 Hexafluorophosphate

CAS: 291756-76-8

Formula: C₇H₁₄ClN₂·F₆P

Color and Shape: Pale Yellow Solid

Molecular weight: 161.65 144.96

Ref: 4Z-E-4534

2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

CAS: 291756-76-8

2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

Formula: C₇H₁₄ClN₂·PF₆

Purity: 95%

Color and Shape: off-white solid

Molecular weight: 306.62g/mol

Ref: 54-PC910977

Etoricoxib Impurity 26

CAS: 291756-76-8

Formula: C₇H₁₄ClN₂F₆P

Molecular weight: 161.7 : 145.0

Ref: ST-EA-CP-E1004

(Z)-N-[2-Chloro-3-(dimethylamino)allylidene]-N-methylmethanaminium Hexafluorophosphate

CAS: 291756-76-8

Purity: 98%

Ref: 10-F551646

2-Chloro-3-(dimethylamino)-N,N-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-)

Controlled Product

CAS: 291756-76-8

Applications This compound is an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2. It is also used in the synthesis of selective GlyT1 inhibitors.
References Pinard, E. et al.: J. Med. Chem., 53, 4603 (2010); McGeer, P.L., et al.: Exp. Gerontol., 37, 925 (2002), Chenevard, R., et al.: Circulation, 107, 405 (2003);

Formula: C₇H₁₄ClN₂·F₆P

Color and Shape: Neat

Molecular weight: 306.617

Ref: TR-C365525