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3-Methyl-3-oxetanemethanol

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Name

3-Methyl-3-oxetanemethanol

EINECS -0
CAS No. 3143-02-0 Density 1.031 g/cm3
PSA 29.46000 LogP 0.01520
Solubility N/A Melting Point N/A
Formula C5H10O2 Boiling Point 152.2 °C at 760 mmHg
Molecular Weight 102.133 Flash Point 98.9 °C
Transport Information N/A Appearance clear colorless to pale yellow liquid
Safety 23-24/25-36/37 Risk Codes 43
Molecular Structure Molecular Structure of 3143-02-0 (3-Oxetanemethanol,3-methyl-) Hazard Symbols IrritantXi
Synonyms

(3-Methyloxetan-3-yl)methanol;3-(Hydroxymethyl)-3-methyloxetane;3-Methyl-3-(hydroxymethyl)oxacyclobutane;3-Methyl-3-(hydroxymethyl)oxetane;3-Methyl-3-oxetanylmethyl alcohol;MOXA(monomer);3-Hydroxymethyl-3-methyloxetane;

Article Data 16

3-Methyl-3-oxetanemethanol Synthetic route

1620017-21-1

tert-butyl[(3-methyloxetan-3-yl)methoxy]diphenylsilane

3143-02-0

3-hydroxymethyl-3-methyloxethane

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h;84%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h;84%
77-85-0

2-(hydroxymethyl)-2-methylpropane-1,3-diol

3143-02-0

3-hydroxymethyl-3-methyloxethane

Conditions
ConditionsYield
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%
84051-79-6

1,1,1-Trimethylolethane dinitrate

A

3143-02-0

3-hydroxymethyl-3-methyloxethane

B

77-85-0

2-(hydroxymethyl)-2-methylpropane-1,3-diol

C

625-58-1

ethyl nitrate

D

84051-80-9

1,1,1-Trimethylolethane mononitrate

E

84051-81-0

3-methyl-3-(nitroxymethyl)oxetane

F

NO2- (5.2percent), NO3-

NO2- (5.2percent), NO3-

Conditions
ConditionsYield
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
3032-55-1

trimethylolethane trinitrate

A

3143-02-0

3-hydroxymethyl-3-methyloxethane

B

77-85-0

2-(hydroxymethyl)-2-methylpropane-1,3-diol

C

84051-80-9

1,1,1-Trimethylolethane mononitrate

D

84051-79-6

1,1,1-Trimethylolethane dinitrate

E

84051-81-0

3-methyl-3-(nitroxymethyl)oxetane

Conditions
ConditionsYield
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%
2210-03-9

2-(bromomethyl)-2-methylpropane-1,3-diol

3143-02-0

3-hydroxymethyl-3-methyloxethane

Conditions
ConditionsYield
With Ph4SbOMe In 1,2-dichloro-ethane at 60℃; for 24h; sealed ampule;82 % Chromat.
77-85-0

2-(hydroxymethyl)-2-methylpropane-1,3-diol

105-58-8

Diethyl carbonate

ethanolic KOH-solution

ethanolic KOH-solution

3143-02-0

3-hydroxymethyl-3-methyloxethane

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts unter vermindertem Druck bis auf 200grad;
84051-80-9

1,1,1-Trimethylolethane mononitrate

A

3143-02-0

3-hydroxymethyl-3-methyloxethane

B

625-58-1

ethyl nitrate

C

NO2-, NO3-

NO2-, NO3-

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 55℃; for 21.9033h; Product distribution; Rate constant; var. NaOH conc.;
84051-81-0

3-methyl-3-(nitroxymethyl)oxetane

A

3143-02-0

3-hydroxymethyl-3-methyloxethane

B

625-58-1

ethyl nitrate

C

NO2-, NO3-

NO2-, NO3-

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 55℃; for 11.38h; Product distribution; Rate constant; var. NaOH conc.;
77-85-0

2-(hydroxymethyl)-2-methylpropane-1,3-diol

105-58-8

Diethyl carbonate

3143-02-0

3-hydroxymethyl-3-methyloxethane

Conditions
ConditionsYield
With potassium hydroxide In ethanol
1256651-65-6

N-hexyl-3-methyloxetane-3-carboxamide

A

3143-02-0

3-hydroxymethyl-3-methyloxethane

B

111-26-2

hexan-1-amine

Conditions
ConditionsYield
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.

3-Methyl-3-oxetanemethanol Specification

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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