Basic information
- Name:
1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-
- Superlist Name:
- (+)-2,3-O-Isopropylidene-L-threitol
- CAS No.:
50622-09-8
- Molecular Structure:
- Formula:
- C7H14O4
- Molecular Weight:
- 162.18
- Synonyms:
- 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S-trans)-;(+)-2,3-O-Isopropylidene-L-threitol;(4S,5S)-4,5-Bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane;2,3-O-Isopropylidene-L-threitol;
- EINECS:
- 256-658-6
- Density:
- 1.108 g/cm3
- Melting Point:
- 46-50 °C
- Boiling Point:
- 335.9 °C at 760 mmHg
- Flash Point:
- 111.9 °C
- Solubility:
- soluble in water
- Appearance:
- White transparent adhering needle like crystals
- Safety Description:
- 22-24/25 Details
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Specification
The 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-, with the CAS registry number 50622-09-8, is also known as L-(+)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol. It belongs to the product categories of Biochemistry; Chiral Building Blocks; Dioxanes & Dioxolanes; Dioxolanes; Glycidyl Compounds, etc. (Chiral); O-Substituted Sugars; Sugar Alcohols; Sugars; Synthetic Organic Chemistry; Chiral Compound. Its EINECS number is 256-658-6. This chemical's molecular formula is C7H14O4 and molecular weight is 162.18. What's more, its systematic name is [(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]dimethanol. It should be sealed and stored at the temperature of 2 - 8 °C. You should not breathe dust. When using it, you must avoid contact with eyes.
Physical properties of 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)- are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.443; (8)Molar Refractivity: 38.82 cm3; (9)Molar Volume: 146.3 cm3; (10)Polarizability: 15.39×10-24cm3; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.108 g/cm3; (13)Flash Point: 111.9 °C; (14)Enthalpy of Vaporization: 67.09 kJ/mol; (15)Boiling Point: 335.9 °C at 760 mmHg; (16)Vapour Pressure: 8.03E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-formyl-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester at the temperature of 0 °C. This reaction will need reagent NaBH4 and solvent methanol. The yield is about 90%.
![1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)- can be prepared by 5-formyl-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester at the temperature of 0 °C](/UserFilesUpload/Preparation of 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-.jpg)
Uses of 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-: it can be used to produce (2S,3S)-(-)-bis(dibenzyloxymethyl)-2,2-dimethyl-1,3-dioxolane by heating. It will need reagent NaOH, tetrapropylammonium bromide and solvent tetrahydrofuran with the reaction time of 24 hours. The yield is about 60%.
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You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H]1OC(O[C@H]1CO)(C)C
(2)Std. InChI: InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
(3)Std. InChIKey: INVRLGIKFANLFP-WDSKDSINSA-N
