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CAS No.: | 7529-22-8 |
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Name: | 4-Methylmorpholine N-oxide |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C5H11NO2 |
Molecular Weight: | 117.148 |
Synonyms: | 4-Methylmorpholine4-oxide;4-Methylmorpholine oxide;N-Methylmorpholine N-oxide;N-Methylmorpholine oxide;N-methylmorpholineN-oxide;NMMO;NMO;NSC 73198;NSC 82153;4-Methylmorpholine N-oxide; |
EINECS: | 231-391-8 |
Density: | 1,14 g/cm3 |
Melting Point: | 180-184 °C |
Boiling Point: | 118-119 °C |
Flash Point: | 118-119ºC |
Solubility: | Soluble in water, methanol, ethanol, acetone, ethers and dimethylsulfoxide. |
Appearance: | Clear colorless to yellow solution |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 38.66000 |
LogP: | -0.08020 |
Conditions | Yield |
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With 4-hydroperoxy-5-ethyl-3-methyllumiflavine In tert-butyl alcohol at 30℃; Rate constant; | 100% |
With carbon dioxide; phosphoric acid; dihydrogen peroxide under 7500.75 Torr; for 0.133333h; Reagent/catalyst; Pressure; Time; Autoclave; | 100% |
With dihydrogen peroxide; benzonitrile; Mg-Al-O-t-Bu HT (Catalyst B) In methanol; water at 65℃; for 0.5h; Product distribution / selectivity; | 98% |
4-methyl-morpholine
3-bromo-4,5-dihydro-5-hydroperoxy-4,4-dimethyl-3,5-diphenyl-3H-pyrazole
A
3-bromo-4,5-dihydro-5-hydroxy-4,4-dimethyl-3,5-diphenyl-3H-pyrazole
B
4-methylmorpholine N-oxide
Conditions | Yield |
---|---|
In chloroform-d1 at 34℃; Rate constant; | A n/a B 95 % Spectr. |
4-methyl-morpholine
cis-3-bromo-4,5-dihydro-5-hydroperoxy-4,4-dimethyl-3,5-diphenyl-3H-pyrazole
4-methylmorpholine N-oxide
Conditions | Yield |
---|---|
In chloroform at 34℃; Rate constant; Mechanism; other α-azo hydroperoxides; oxidation of other amines, PhS, and olefins; var. solvents, deuterium isotope effect; |
Conditions | Yield |
---|---|
In chloroform at 34℃; Rate constant; Mechanism; other α-azo hydroperoxides; oxidation of other amines, Ph2S, and olefins; var. solvent, deuterium isotope effect; |
4-methylmorpholine N-oxide
Conditions | Yield |
---|---|
With sodium percarbonate In hexane; dichloromethane; acetonitrile at 50℃; for 1h; Substitution; Oxidation; |
2a-(4-Pentenyl)-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
4-methylmorpholine N-oxide
2a-(3-Formylpropyl)-2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one
Conditions | Yield |
---|---|
With sodium periodate; osmium(VIII) oxide In 1,4-dioxane; water | 100% |
4-methylmorpholine N-oxide
N-[4-nitro-2-phenylbenzoyl]-methionine methyl ester
Conditions | Yield |
---|---|
With osmium(VIII) oxide In water; acetone; tert-butyl alcohol | 100% |
Conditions | Yield |
---|---|
In acetonitrile | 100% |
Conditions | Yield |
---|---|
In acetonitrile for 24h; | 100% |
4-methylmorpholine N-oxide
Conditions | Yield |
---|---|
Stage #1: 2,6-anhydro-3-azido-1,4-di-O-benzyl-3,5-dideoxy-D-arabino-hex-5-enitol With osmium(VIII) oxide; water In tetrahydrofuran; tert-butyl alcohol at 20℃; for 0.5h; Stage #2: 4-methylmorpholine N-oxide In tetrahydrofuran; tert-butyl alcohol for 28.5h; | 100% |
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The 4-Methylmorpholine N-oxide, with the CAS registry number 7529-22-8, is also known as N-Methyl morpholine-N-oxide; NMO.It belongs to the product categories of Heterocycles;Aromatic Morpholines;Oxidation;Synthetic Organic Chemistry. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.15. What's more,Its systematic name is 4-Methylmorpholine 4-oxide. The 4-Methylmorpholine N-oxide may cause damage to health. It is Irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing and gloves.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Physical properties about 4-Methylmorpholine N-oxide are: (1)ACD/LogP: -1.636; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.42; (8)ACD/KOC (pH 7.4): 3.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0.
You can still convert the following datas into molecular structure:
(1)SMILES:C[N+]1(CCOCC1)[O-];
(2)Std. InChI:InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3;
(3)Std. InChIKey:LFTLOKWAGJYHHR-UHFFFAOYSA-N.