N-METHOXY-N-METHYLTRIFLUOROACETAMIDE

The 2,2,2-Trifluoro-N-methoxy-N-methylacetamide, with the CAS registry number 104863-67-4, is also known as N-Methyl-N-methoxytrifluoroacetamide. This chemical's molecular formula is C₄H₆F₃NO₂ and molecular weight is 157.09. Its IUPAC name is called 2,2,2-trifluoro-N-methoxy-N-methylacetamide. You should keep its container tightly sealed and ensure the workplaces have good ventilation or exhaust. In addition, it should be stored in a cool, dry place.

Physical properties of 2,2,2-Trifluoro-N-methoxy-N-methylacetamide: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 4.88; (7)ACD/KOC (pH 5.5): 108.24; (8)ACD/KOC (pH 7.4): 108.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.355; (13)Molar Refractivity: 26.53 cm³; (14)Molar Volume: 121.6 cm³; (15)Surface Tension: 22.6 dyne/cm; (16)Density: 1.29 g/cm³; (17)Flash Point: 118 °F; (18)Enthalpy of Vaporization: 29.62 kJ/mol; (19)Boiling Point: 53 °C at 760 mmHg; (20)Vapour Pressure: 259 mmHg at 25°C.

Preparation: this chemical can be prepared by trifluoroacetyl chloride and N,O-dimethyl-hydroxylamine; hydrochloride. This reaction will need reagent Et₃N and solvent CHCl₃. The reaction time is 1 hour with reaction temperature of 0 ℃. The yield is about 52%.

Uses of 2,2,2-Trifluoro-N-methoxy-N-methylacetamide: it can be used to produce 1-[1,3]dithian-2-yl-2,2,2-trifluoro-ethanone at temperature of -78 - 0 °C. This reaction will need reagent aqueous ammonium chloride and solvent tetrahydrofuran. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is flammable and toxic if swallowed. In addition, it is irritating to eyes. You should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C(=O)C(F)(F)F)OC
(2)InChI: InChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
(3)InChIKey: JDBJZZTZYKUFFK-UHFFFAOYSA-N