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CAS No.: | 3513-81-3 |
---|---|
Name: | 2-Methylene-1,3-propanediol |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C4H8O2 |
Molecular Weight: | 88.1063 |
Synonyms: | 2-Methylidenepropane-1,3-diol; |
EINECS: | 222-516-7 |
Density: | 1.043 g/cm3 |
Boiling Point: | 236.203 °C at 760 mmHg |
Flash Point: | 98.573 °C |
Appearance: | clear colorless to pale yellow viscous liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 40.46000 |
LogP: | -0.47280 |
Conditions | Yield |
---|---|
With pyridine; dmap In dichloromethane at 0 - 20℃; for 0.5h; | 98% |
With potassium hydroxide In methanol at 60℃; under 750.075 Torr; Reagent/catalyst; Inert atmosphere; | 97.5% |
With hydrogenchloride In ethanol Heating; | 65% |
With methanol; potassium carbonate at 20℃; |
2-methylene-1,3-propane-[bis-(tert-butyl)carbonate]
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With dmap In tetrahydrofuran Heating; | 98% |
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
A
3,3-bis(hydroxymethyl)oxetane
B
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With base | A 70% B 17% |
With potassium hydroxide |
pentaerythrityl mononitrate
A
3,3-bis(hydroxymethyl)oxetane
B
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol for 2h; Heating; | A 69% B 8.5% |
Conditions | Yield |
---|---|
With water; calcium carbonate for 120h; Heating; | 65% |
With calcium carbonate | |
With potassium hydroxide In water for 40h; Heating; | |
With potassium carbonate In water |
Conditions | Yield |
---|---|
With silicon oil at 235 - 237℃; for 4h; | 54% |
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With water; silver(l) oxide | |
With barium dihydroxide; water |
2-hydroxymethyl-propenal
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In tetrahydrofuran; methanol at 0℃; for 3h; Yield given; | |
With sodium tetrahydroborate In tetrahydrofuran; methanol Yield given; |
2,2-Dimethyl-propionic acid 2-(2,2-dimethyl-propionyloxymethyl)-allyl ester
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With sodium methylate In methanol for 20h; Ambient temperature; Yield given; |
2-(Hydroxymethyl)allyl alcohol
Conditions | Yield |
---|---|
With sodium hydroxide; dihydrogen peroxide In water at 20℃; for 2h; Oxidation; |
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The 2-Methylene-1,3-propanediol, with the CAS registry number 3513-81-3, is also known as 1,3-Propanediol, 2-methylene-. It belongs to the product categories of Alcohols; Monomers; Polymer Science. Its EINECS registry number is 222-516-7. This chemical's molecular formula is C4H8O2 and molecular weight is 88.11. What's more, its IUPAC name is called 2-Methylidenepropane-1,3-diol.
Physical properties about 2-Methylene-1,3-propanediol are: (1)ACD/LogP: -0.669; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 10.31; (8)ACD/KOC (pH 7.4): 10.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 23.218 cm3; (15)Molar Volume: 84.469 cm3; (16)Polarizability: 9.204×10-24cm3; (17)Surface Tension: 38.159 dyne/cm; (18)Density: 1.043 g/cm3; (19)Flash Point: 98.573 °C; (20)Enthalpy of Vaporization: 54.976 kJ/mol; (21)Boiling Point: 236.203 °C at 760 mmHg; (22)Vapour Pressure: 0.0090 mmHg at 25 °C.
Preparation of 2-Methylene-1,3-propanediol: this chemical can be prepared by 3-chloro-2-chloromethyl-propene. The reaction occurs with reagents H2O, CaCO3 and other condition of heating for 5 days. The yield is 65 %.
Uses of 2-Methylene-1,3-propanediol: it is used to produce other chemicals. For example, it can react with 4-acetoxy-azetidin-2-one to get 4-(2-hydroxymethyl-allyloxy)-azetidin-2-one. This reaction needs reagent Zn(OAc)2*2H2O, solvent benzene and other condition of heating for 1 hour. The yield is 86 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: OC/C(=C)CO
(2) InChI: InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2
(3) InChIKey: JFFYKITVXPZLQS-UHFFFAOYSA-N