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Cas Database |
| Name |
(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol |
EINECS | 244-910-8 |
| CAS No. | 22323-82-6 | Density | 1.034 g/cm3 |
| PSA | 38.69000 | LogP | 0.13020 |
| Solubility | miscible in water | Melting Point |
N/A |
| Formula | C6H12O3 | Boiling Point | 188.5 °C at 760 mmHg |
| Molecular Weight | 132.159 | Flash Point | 80 °C |
| Transport Information | N/A | Appearance | Colorless oil |
| Safety | 23-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Dioxolane-4-methanol,2,2-dimethyl-, (S)-;1,3-Dioxolane-4-methanol, 2,2-dimethyl-, L- (8CI);((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol;(+)-1,2-O-Isopropylidene-sn-glycerol;(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol;(+)-Glycerol acetonide;(+)-Solketal;(+)-a,b-Isopropylideneglycerol;(2S)-Glycerol 1,2-acetonide;(4S)-2,2-Dimethyl-1,3-dioxolan-4-ylmethanol;(S)-(+)-(2,2-Dimethyl-[1,3]dioxolan-4-yl)methanol;(S)-(+)-1,2-Isopropylideneglycerol;(S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-methanol;(S)-1,2-Isopropylideneglycerol;(S)-1,2-O-Isopropylideneglycerol;(S)-2,2-Dimethyl-1,3-dioxolan-4-methanol;(S)-Isopropylideneglycerol;(S)-Solketal;1,2-O-Isopropylidene-(S)-glycerol;2,3-O-Isopropylidene-D-glycerol;S-Glycerol acetonide; |
Article Data | 85 |
(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol Specification
The IUPAC name of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol. With the CAS registry number 22323-82-6, it is also named as 1,3-dioxolane-4-methanol, 2,2-dimethyl-. The product's categories are pharmacetical; chiral reagent; chiral building blocks; dioxanes & dioxolanes; glycidyl compounds, etc. (chiral); synthetic organic chemistry; heterocycles; miscellaneous. It is colorless oil which is stable, flammable and incompatible with oxidizing agents. In addition, people should not breathe vapour and avoid contact with skin and eyes.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 25.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 32.596 cm3; (14)Molar Volume: 127.788 cm3; (15)Polarizability: 12.922×10-24 cm3; (16)Surface Tension: 36.207 dyne/cm; (17)Enthalpy of Vaporization: 49.429 kJ/mol; (18)Vapour Pressure: 0.164 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 132.078644; (21)MonoIsotopic Mass: 132.078644; (22)Topological Polar Surface Area: 38.7; (23)Heavy Atom Count: 9; (24)Complexity: 101.
Uses of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol: It is a MEK inhibitor with antitumor activity. And it is also used as glycerol phosphorylcholine intermediate. Inaddition, it can be used as pharmaceutical intermediates to synthetize drugs such as L-hydroxy benzene piperidine, propranolol, strontium ranelate, chiral crown ether.
People can use the following data to convert to the molecule structure.
1. SMILES: CC1(OCC(O1)CO)C;
2. InChI: InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3.
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