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Trimethylamine N-oxide dihydrate
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Name

Trimethylamine N-oxide dihydrate

 EINECS 214-675-6
CAS No. 62637-93-8 Density 1.157 g/cm3
PSA 47.89000 LogP 0.08270
Solubility Soluble in water, ethanol, dimethyl sulfoxide and methanol. Sparingly soluble in hot chloroform. Insoluble in diethyl ether, benzene and hydrocarbon solvents. Melting Point 94-98 ºC
Formula C3H9 N O . 2 H2 O Boiling Point N/A
Molecular Weight 111.141 Flash Point 95 ºC
Transport Information N/A Appearance White crystal
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. Risk Codes R36/38   
Molecular Structure Molecular Structure of 62637-93-8 (Trimethylamine N-oxide dihydrate) Hazard Symbols
Synonyms

Trimethylamine,N-oxide, dihydrate (6CI); Trimethylamine oxide dihydrate

 

Trimethylamine N-oxide dihydrate Synthetic route

10170-69-1

dimanganese decacarbonyl

62637-93-8

trimethylamine-N-oxide dihydrate

108-88-3

toluene

{{Mn(μ3-OH)(CO)3}4}*2toluene

Conditions
ConditionsYield
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%

C5H5(CO)2P(C4H9)3Fe(1+)*BF4(1-)={C5H5(CO)2P(C4H9)3Fe}BF4

62637-93-8

trimethylamine-N-oxide dihydrate

C5H5(CO)P(C4H9)3Fe(CH3CN)(1+)*BF4(1-)={C5H5(CO)P(C4H9)3Fe(CH3CN)}BF4

Conditions
ConditionsYield
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%

Os3(μ-H,μ-O=CNMe2)(CO)10

62637-93-8

trimethylamine-N-oxide dihydrate

313689-14-4

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
ConditionsYield
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%
62637-93-8

trimethylamine-N-oxide dihydrate

1184-78-7

trimethylamine-N-oxide

Conditions
ConditionsYield
With N,N-dimethyl-formamide distillation;94%

η(4)-(Z)-1,3-pentadiene tricarbonyliron

62637-93-8

trimethylamine-N-oxide dihydrate

122-52-1

triethyl phosphite

dicarbonyl{1-4-η-((Z)-penta-1,3-diene)}(triethoxyphosphine)iron

Conditions
ConditionsYield
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%
522611-42-3, 12078-32-9, 139687-42-6, 71435-61-5

tricarbonyl(η(4)-buta-1,3-diene)iron

62637-93-8

trimethylamine-N-oxide dihydrate

554-70-1

triethylphosphine

12154-18-6

(η4-buta-1,3-diene)dicarbonyl(triethylphosphine)iron

Conditions
ConditionsYield
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%
66-71-7

1,10-Phenanthroline

62637-93-8

trimethylamine-N-oxide dihydrate

13939-06-5, 199620-15-0

molybdenum hexacarbonyl

15740-78-0

(1,10-phenanthroline)molybdenum tetracarbonyl

Conditions
ConditionsYield
In benzene N2-atmosphere; stoichiometric amts., room temp.;93%

[Ru(CO)3(OC2H4C4(C(O)OCH3)2Ru(CO)3)]

62637-93-8

trimethylamine-N-oxide dihydrate

[(CH3)3NRu(CO)2(OC2H4C4(C(O)OCH3)2Ru(CO)3)]

Conditions
ConditionsYield
In tetrahydrofuran Ar, stirred for 1 h at ambient temp.; solvent removed (vac.), chromy. (silia gel, hexane/ethyl acetate); elem.anal.;93%
75992-73-3, 25794-47-2, 30729-25-0, 15274-33-6, 22840-91-1, 14568-13-9

cis-dichlorobis(dimethylsulfoxide)platinum(II)

62637-93-8

trimethylamine-N-oxide dihydrate

120272-54-0

trans-{Pt(DMSO)(NMe3)Cl2}

Conditions
ConditionsYield
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%

{RhRe(CH3)(CO)2(μ-CO)2(dppm)2}{CF3SO3}

62637-93-8

trimethylamine-N-oxide dihydrate

75-05-8

acetonitrile

{RhRe(CH3)(μ-carbonyl)2(acetonitrile)2(dppm)2}{CF3SO3}

Conditions
ConditionsYield
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%

Trimethylamine N-oxide dihydrate Chemical Properties

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 N-oxide dihydrate Uses

  Trimethylamine oxide, dihydrate (62637-93-8) is used as common organic reagents.

Trimethylamine N-oxide dihydrate Toxicity Data With Reference

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.

Trimethylamine N-oxide dihydrate Safety Profile

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

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