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CAS No.: | 62637-93-8 |
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Name: | Trimethylamine N-oxide dihydrate |
Molecular Structure: | |
Formula: | C3H9 N O . 2 H2 O |
Molecular Weight: | 111.141 |
Synonyms: | Trimethylamine,N-oxide, dihydrate (6CI); Trimethylamine oxide dihydrate |
EINECS: | 214-675-6 |
Density: | 1.157 g/cm3 |
Melting Point: | 94-98 ºC |
Flash Point: | 95 ºC |
Solubility: | Soluble in water, ethanol, dimethyl sulfoxide and methanol. Sparingly soluble in hot chloroform. Insoluble in diethyl ether, benzene and hydrocarbon solvents. |
Appearance: | White crystal |
Hazard Symbols: | |
Risk Codes: | R36/38 |
Safety: | Mildly toxic by ingestion and subcutaneous routes. An eye irritant. Can explode during concentration. When heated to decomposition it emits toxic fumes of NOx and NH3. See also AMINES. |
PSA: | 47.89000 |
LogP: | 0.08270 |
Conditions | Yield |
---|---|
In tetrahydrofuran; toluene stirring Mn2(CO)10 with Me3NO*2H2O in THF (18 h), solvent removal; recrystn. (hot toluene); | 100% |
In toluene byproducts: trimethylammonium carbonate; treatment of Mn2(CO)10 with 6 equivs. of Me3NO, boiling of product in MePh; hot filtration, crystn. (5°C); second crop from mother liquor; elem. anal.; | 98% |
trimethylamine-N-oxide dihydrate
Conditions | Yield |
---|---|
In acetonitrile byproducts: CO2, NMe3; addn. of solid ONMe3*H2O to the soln. of the Fe-compd., gasdevelopment; volatile parts are removed, resolving with CH2Cl2, drying over MgSO4, filtn., drying in vacuum, elem. anal.; | 99% |
trimethylamine-N-oxide dihydrate
1,2-μ-hydrido-1,2-μ-(N,N-dimethylcarbamoyl)-1-trimethylamino-1,1,2,2,2,3,3,3,3-nonacarbonyl-triangulo-triosmium
Conditions | Yield |
---|---|
In methanol; diethyl ether under Ar; addn. of methanolic soln. of Me3NO*2H2O to stirred soln. of complex in Et2O over 20 min, keeping react. mixt. for 2 h; diln. with hexane, column chromy. (silica gel, CH2Cl2), evapn., crystn.from CHCl3-hexane at 2°C; | 96% |
In methanol; diethyl ether under dry Ar atm.; soln. of HOs3(OCNMe2)(CO)10 in Et2O was treated with;soln. of Me3NO*2H2O in MeOH; mixt. stirred at ambient temp.; monitored by TLC chromy. (hexane-CH2Cl2 2:1); soln. diluted with hexane;filtered through two short silica columns; solvent removed (vac.); | 96% |
trimethylamine-N-oxide dihydrate
trimethylamine-N-oxide
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide distillation; | 94% |
trimethylamine-N-oxide dihydrate
triethyl phosphite
Conditions | Yield |
---|---|
In acetonitrile Addn. of phosphorus ligand and iron complex to suspn. of Me3NO*2H2O (MeCN) under inert atmosphere, stirring of mixt. (37-40°C, 4-18 h) until disappearance of starting material.; Extn. of mixt. with hexane/Et2O, removal of solvent under reduced pressure, chromy. of residue on silica gel with hexane/Et2O as eluent. Pure compound obtained after elimination of solvent.; | 93% |
tricarbonyl(η(4)-buta-1,3-diene)iron
trimethylamine-N-oxide dihydrate
triethylphosphine
(η4-buta-1,3-diene)dicarbonyl(triethylphosphine)iron
Conditions | Yield |
---|---|
In acetonitrile Addn. of phosphorus ligand and iron complex to suspn. of Me3NO*2H2O (MeCN) under inert atmosphere, stirring of mixt. (37-40°C, 4-18 h) until disappearance of starting material.; Extn. of mixt. with hexane/Et2O, removal of solvent under reduced pressure, chromy. of residue on silica gel with hexane/Et2O as eluent. Pure compound obtained after elimination of solvent.; | 93% |
1,10-Phenanthroline
trimethylamine-N-oxide dihydrate
molybdenum hexacarbonyl
(1,10-phenanthroline)molybdenum tetracarbonyl
Conditions | Yield |
---|---|
In benzene N2-atmosphere; stoichiometric amts., room temp.; | 93% |
trimethylamine-N-oxide dihydrate
Conditions | Yield |
---|---|
In tetrahydrofuran Ar, stirred for 1 h at ambient temp.; solvent removed (vac.), chromy. (silia gel, hexane/ethyl acetate); elem.anal.; | 93% |
cis-dichlorobis(dimethylsulfoxide)platinum(II)
trimethylamine-N-oxide dihydrate
trans-{Pt(DMSO)(NMe3)Cl2}
Conditions | Yield |
---|---|
In acetone refluxing (1 min); cooling, removal of solvent (vac.), addn. of isopropanol, filtration, reprecipitation from soln. in MeCN on addn. of ether; elem. anal.; | 92% |
trimethylamine-N-oxide dihydrate
acetonitrile
Conditions | Yield |
---|---|
With CH3CN In dichloromethane; acetonitrile dissolving complex in CH2Cl2; addn. of 2 equiv. Me3NO*H2O in CH3CN; stirring for 1 h; removal of solvents in vac.; recrystn. (CH2Cl2/Et2O); elem. anal.; | 91% |
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IUPAC Name: Trimethylamine oxide, dihydrate
The MF of Trimethylamine oxide, dihydrate (62637-93-8) is C3H13NO3.
The MW of Trimethylamine oxide, dihydrate (62637-93-8) is 111.14.
Synonyms of Trimethylamine oxide, dihydrate (62637-93-8): Trimethylamine N-oxide dihydrate ; Methanamine oxide, N,N-dimethyl, dihydrate ; N,N-Dimethylmethanamine oxide, dihydrate ; Trimethylamine oxide, dihydrate ; Trimethylammoniumoxid hydrat
Product Categories: Oxidation;Synthetic Organic Chemistry
Form: white crystalline powder
Melting Point: 97-100 °C
Flash Point: 95 °C
Merck: 14,9710
BRN: 3612927
EINECS: 214-675-6
Trimethylamine oxide, dihydrate (62637-93-8) is used as common organic reagents.
1. | eye-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,74. | ||
2. | orl-rat LD50:8700 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,74. | ||
3. | scu-rbt LDLo:3 g/kg | HBAMAK “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289. |
Mildly toxic by ingestion and subcutaneous routes. An eye irritant. Can explode during concentration. When heated to decomposition it emits toxic fumes of NOx and NH3. See also AMINES.
Safety information of Trimethylamine oxide, dihydrate (62637-93-8):
Hazard Codes Xi,Xn
Risk Statements
36/38 Irritating to eyes and skin
20/21/22 Harmful by inhalation, in contact with skin and if swallowed
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
WGK Germany 2
RTECS YH2850000
F 4.10