tert-butyl[(3-methyloxetan-3-yl)methoxy]diphenylsilane
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h; | 84% |
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h; | 84% |
Conditions | Yield |
---|---|
With potassium hydroxide; Diethyl carbonate at 115℃; for 1h; | 83.7% |
With potassium hydroxide; Diethyl carbonate In ethanol for 2h; Heating; | 81% |
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol With potassium hydroxide; carbonic acid dimethyl ester In methanol under 760.051 Torr; Heating; Stage #2: at 130 - 140℃; under 110 - 120 Torr; | 77% |
1,1,1-Trimethylolethane dinitrate
A
3-hydroxymethyl-3-methyloxethane
B
2-(hydroxymethyl)-2-methylpropane-1,3-diol
C
ethyl nitrate
D
1,1,1-Trimethylolethane mononitrate
E
3-methyl-3-(nitroxymethyl)oxetane
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 55℃; for 3.10833h; Product distribution; Rate constant; var. NaOH conc.; | A 13% B 0.7% C n/a D 24% E 66% F n/a |
trimethylolethane trinitrate
A
3-hydroxymethyl-3-methyloxethane
B
2-(hydroxymethyl)-2-methylpropane-1,3-diol
C
1,1,1-Trimethylolethane mononitrate
D
1,1,1-Trimethylolethane dinitrate
E
3-methyl-3-(nitroxymethyl)oxetane
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 55℃; for 86.1667h; Product distribution; Rate constant; Thermodynamic data; var. NaOH conc., var. solv., solv. effect, ΔH(excit.), ΔF(excit.), ΔS(excit.); | A 45.5% B 2.3% C 31.8% D 1.5% E 16.5% |
Conditions | Yield |
---|---|
With Ph4SbOMe In 1,2-dichloro-ethane at 60℃; for 24h; sealed ampule; | 82 % Chromat. |
2-(hydroxymethyl)-2-methylpropane-1,3-diol
Diethyl carbonate
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 200grad; |
1,1,1-Trimethylolethane mononitrate
A
3-hydroxymethyl-3-methyloxethane
B
ethyl nitrate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 55℃; for 21.9033h; Product distribution; Rate constant; var. NaOH conc.; |
3-methyl-3-(nitroxymethyl)oxetane
A
3-hydroxymethyl-3-methyloxethane
B
ethyl nitrate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 55℃; for 11.38h; Product distribution; Rate constant; var. NaOH conc.; |
2-(hydroxymethyl)-2-methylpropane-1,3-diol
Diethyl carbonate
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol |
N-hexyl-3-methyloxetane-3-carboxamide
A
3-hydroxymethyl-3-methyloxethane
B
hexan-1-amine
Conditions | Yield |
---|---|
With [RuH(CO)(BPy-tPNN*)]; hydrogen In tetrahydrofuran at 110℃; under 7600.51 Torr; for 48h; Fischer-Porter tube; | A 74 %Chromat. B 74 %Chromat. |
2-(hydroxymethyl)-2-methylpropanedioic acid diethyl ester
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: 1H-imidazole / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere 2.1: lithium borohydride / tetrahydrofuran / 16 h / 0 - 20 °C / Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 3.2: 1 h / Cooling with ice 3.3: 4.17 h / 0 - 60 °C 4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme | |
Multi-step reaction with 4 steps 1.1: 1H-imidazole / N,N-dimethyl-formamide / 24 h / 20 °C / Inert atmosphere 2.1: lithium borohydride / tetrahydrofuran / 16 h / 0 - 20 °C / Inert atmosphere 3.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 3.2: Cooling with ice 3.3: 4.17 h / 60 °C / Cooling with ice 4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme |
diethyl 2-[(tert-butyldiphenylsilyloxy)methyl]-2-methylmalonate
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: lithium borohydride / tetrahydrofuran / 16 h / 0 - 20 °C / Inert atmosphere 2.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 2.2: 1 h / Cooling with ice 2.3: 4.17 h / 0 - 60 °C 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: lithium borohydride / tetrahydrofuran / 16 h / 0 - 20 °C / Inert atmosphere 2.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 2.2: Cooling with ice 2.3: 4.17 h / 60 °C / Cooling with ice 3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme |
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 1.2: 1 h / Cooling with ice 1.3: 4.17 h / 0 - 60 °C 2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.33 h / 0 °C 1.2: Cooling with ice 1.3: 4.17 h / 60 °C / Cooling with ice 2.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C View Scheme |
3-hydroxymethyl-3-methyloxethane
4-nitro-benzoyl chloride
(3-methyloxetan-3-yl)methyl 4-nitrobenzoate
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 0.333333h; | 100% |
3-hydroxymethyl-3-methyloxethane
p-toluenesulfonyl chloride
(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 100% |
With pyridine for 1.5h; Inert atmosphere; Cooling with ice; | 96% |
With 1-methyl-1H-imidazole; triethylamine In dichloromethane at 25℃; for 2h; | 95% |
3-hydroxymethyl-3-methyloxethane
N-carbobenzyloxy-L-tryptophane
N-(benzyloxycarbonyl)-L-tryptophane (3-methyl-3-oxetanyl)methyl ester
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; | 100% |
With dmap; dicyclohexyl-carbodiimide In diethyl ether at 25℃; for 0.25h; | 84% |
3-hydroxymethyl-3-methyloxethane
2-amino-6-chloropyrazine
6-((3-methyloxetan-3-yl)methoxy)pyrazin-2-amine
Conditions | Yield |
---|---|
Stage #1: 3-hydroxymethyl-3-methyloxethane With sodium hydride In 1,4-dioxane; mineral oil at 20℃; for 2h; Stage #2: 2-amino-6-chloropyrazine for 16h; Reflux; | 100% |
Stage #1: 3-hydroxymethyl-3-methyloxethane With sodium hydride In 1,4-dioxane; mineral oil at 20℃; for 2h; Stage #2: 2-amino-6-chloropyrazine In 1,4-dioxane; mineral oil for 16h; Reflux; | 100% |
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With dipyridinium dichromate In N,N-dimethyl-formamide at 20℃; | 100% |
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In water; acetonitrile at 20℃; | 14 g |
In water; acetonitrile at 20℃; Cooling with ice; | 14 g |
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
3-hydroxymethyl-3-methyloxethane
3-bromomethyl-3-methyloxetane
Conditions | Yield |
---|---|
With carbon tetrabromide; triphenylphosphine In dichloromethane for 0.333333h; Ambient temperature; | 99% |
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃; for 0.333333h; Product distribution / selectivity; | 95% |
With triphenyl phosphite; N-Bromosuccinimide In dichloromethane Ambient temperature; | 74% |
3-hydroxymethyl-3-methyloxethane
butyryl chloride
butyric acid 3-methyloxetan-3-ylmethyl ester
Conditions | Yield |
---|---|
With pyridine In dichloromethane | 99% |
3-hydroxymethyl-3-methyloxethane
4-Chlorobutanoyl chloride
3-methyl-3-oxetanylmethyl 4-chlorobutanoate
Conditions | Yield |
---|---|
With triethylamine In diethyl ether for 1h; Ambient temperature; | 98% |
With pyridine In dichloromethane at 0℃; for 48h; | 92% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 98% |
3-hydroxymethyl-3-methyloxethane
7-bromoheptanoyl chloride
1-methyl-3-oxacyclobutanecarbinyl 7-bromoheptanoate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; for 1.5h; | 97% |
With pyridine In tetrahydrofuran at 5℃; for 1.5h; | 89% |
3-hydroxymethyl-3-methyloxethane
acetyl chloride
(3-Methyloxetan-3-yl)methyl acetate
Conditions | Yield |
---|---|
With pyridine In dichloromethane | 97% |
3-hydroxymethyl-3-methyloxethane
5-bromo-2,3-dimethoxybenzoic acid chloride
3-methyloxetane-3-methyl 2,3-dimethoxy-5-bromobenzoate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; | 97% |
3-hydroxymethyl-3-methyloxethane
hex-5-ynoic acid
(3-methyloxyethan-3-yl)methyl-5-hexynoate
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 1h; Cooling with ice; | 97% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 0.75h; |
3-hydroxymethyl-3-methyloxethane
phenyldimethylsilyl chloride
3-methyl-3-[(phenyldimethylsilyl)oxymethyl]oxetane
Conditions | Yield |
---|---|
Stage #1: 3-hydroxymethyl-3-methyloxethane With sodium hydride In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; Stage #2: phenyldimethylsilyl chloride In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With hydrogen bromide In tetrahydrofuran; water at 20℃; for 17.5h; Inert atmosphere; Cooling with ice; | 96.1% |
With hydrogen bromide In tetrahydrofuran at 0 - 20℃; for 5h; | 96% |
With hydrogen bromide In tetrahydrofuran at 0℃; for 4h; | 93.7% |
3-hydroxymethyl-3-methyloxethane
5-ketohexanoic acid
3-methyloxetan-3-yl-carbinyl 5-oxohexanoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 12h; | 96% |
3-hydroxymethyl-3-methyloxethane
tert-butyldimethylsilyl chloride
Conditions | Yield |
---|---|
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 6h; | 96% |
With 1H-imidazole In N,N-dimethyl-formamide at 20 - 25℃; for 12h; | 84% |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere; | 96% |
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.25h; | 96% |
1,4-dioxane
3-hydroxymethyl-3-methyloxethane
hydrogen bromide
2-(bromomethyl)-2-methylpropane-1,3-diol
Conditions | Yield |
---|---|
In water for 3.5h; Inert atmosphere; Schlenk technique; Reflux; | 96% |
3-hydroxymethyl-3-methyloxethane
benzoic acid
(3-Methyloxetan-3-yl)methyl benzoate
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 96% |
3-hydroxymethyl-3-methyloxethane
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 0.25h; Inert atmosphere; | 96% |
3-hydroxymethyl-3-methyloxethane
benzyloxyacetic acid
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 25℃; for 18h; Inert atmosphere; | 96% |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 94% |
3-hydroxymethyl-3-methyloxethane
4-(N-tert-butoxycarbonyl)aminobenzoic acid
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; Inert atmosphere; | 96% |
3-hydroxymethyl-3-methyloxethane
(Z)-3-iodoprop-2-enoic acid
(3-methyl-3-oxetanyl)methyl (Z)-3-iodo-2-propenoate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; | 95% |
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; | 95% |
3-hydroxymethyl-3-methyloxethane
3-[(2,4,6-triisopropylphenyl)sulfenyl]propionic acid
(3-methyl-3-oxethanyl)methyl 3-[(2,4,6-triisopropylphenyl)sulfenyl]propionate
Conditions | Yield |
---|---|
With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 36h; | 95% |
3-hydroxymethyl-3-methyloxethane
(S)-3-((tert-butyldimethylsilyl)oxy)-4,4-dimethyl-5-oxoheptanoic acid
(-)-(3S)-3-(tert-butyldimethylsilyloxy)-4,4-dimethyl-5-oxoheptanoic acid 3-methyloxetan-3-ylmethyl ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 1h; | 95% |
3-hydroxymethyl-3-methyloxethane
3-methyl-3-(nitroxymethyl)oxetane
Conditions | Yield |
---|---|
With carbon dioxide; dinitrogen pentoxide at 0℃; under 45004.5 - 60006 Torr; for 0.5h; Autoclave; | 95% |
Conditions | Yield |
---|---|
at 150℃; for 48h; | 95% |
at 150℃; for 48h; | 95% |
The 3-Methyl-3-oxetanemethanol, with the CAS registry number 3143-02-0, is also known as 3-Hydroxymethyl-3-methyloxetane. It belongs to the product categories of Oxetanes; Simple 4-Membered Ring Compounds. This chemical's molecular formula is C5H10O2 and molecular weight is 102.13. Its IUPAC name is called (3-methyloxetan-3-yl)methanol. The product should be sealed at temperature of 2-8 °C.
Physical properties of 3-Methyl-3-oxetanemethanol: (1)ACD/LogP: -0.61; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.04; (7)ACD/KOC (pH 7.4): 11.04; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 26.28 cm3; (13)Molar Volume: 99 cm3; (14)Surface Tension: 40.3 dyne/cm; (15)Density: 1.031 g/cm3; (16)Flash Point: 98.9 °C; (17)Enthalpy of Vaporization: 45.31 kJ/mol; (18)Boiling Point: 152.2 °C at 760 mmHg; (19)Vapour Pressure: 1.32 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxymethyl-2-methyl-propane-1,3-diol. This reaction will need reagent diethyl carbonate, ethanolic KOH-solution. The reaction temperature is 180 °C.
Uses of 3-Methyl-3-oxetanemethanol: it can be used to produce 2-(dimethylamino-methyl)-2-methyl-propane-1,3-diol at temperature of 180 °C. This reaction will need solvent H2O.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It also may cause sensitisation by skin contact. You must avoid contacting it with skin and eyes. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(COC1)CO
(2)InChI: InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
(3)InChIKey: NLQMSBJFLQPLIJ-UHFFFAOYSA-N
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