1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol Chemical Properties

Melting point:

275°C(lit.)

Boiling point:

611.6±50.0 °C(Predicted)

Density 

1.195

vapor pressure 

0-0Pa at 25℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Pyridine (Sparingly, Sonicated)

form 

Solid

pka

13.26±0.20(Predicted)

color 

White to Off-White

Water Solubility 

40-47600ng/L at 20℃

InChIKey

YWEWWNPYDDHZDI-JJKKTNRVSA-N

SMILES

[C@@H]([C@@]1([H])OC(C2C=CC(=C(C=2)C)C)O[C@@]2([H])COC(C3C=CC(=C(C=3)C)C)O[C@]21[H])(O)CO

LogP

2.78-3.4 at 22-30℃

EPA Substance Registry System

D-Glucitol, 1,3:2,4-bis-O-[(3,4-dimethylphenyl)methylene]- (135861-56-2)

Safety Information

HS Code 

2933.39.9200

1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol Usage And Synthesis

Appearance

1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol is a white to off-white solid.

Uses

1,3:2,4-Bis(3,4-dimethylobenzylideno) sorbitol is a useful research chemical.

Flammability and Explosibility

Non flammable

Synthesis

Example 1 Synthesis of 1,3:2,4-bis(3',4'-dimethylbenzylidene)sorbitol: At room temperature, D-sorbitol (9.11 g, 50 mmol) and 3,4-dimethylbenzaldehyde (13.4 g, 100 mmol) were dissolved in acetonitrile (100 mL) to form a white slurry. Subsequently, p-toluenesulfonic acid monohydrate (1.9 g, 10 mmol) solid was added to the mixture. The reaction mixture was reacted under magnetic stirring for 12 hours. Upon completion of the reaction, the resulting gel-like substance was washed sequentially with boiling water (200 mL x 2), cyclohexane (200 mL x 2) and boiling water (200 mL x 4) until no visible solvent remained. The washed product was dried in a vacuum oven at 110 °C for 12 h to afford 1,3:2,4-bis(3',4'-dimethylbenzylidene)sorbitol (20.5 g, 99%) as a white powder. The product was characterized by 1H NMR, 13C NMR, IR and GC/MS.

References

[1] Patent: US2006/79720, 2006, A1. Location in patent: Page/Page column 4
[2] Patent: US2006/79720, 2006, A1. Location in patent: Page/Page column 5
[3] Patent: US2006/79720, 2006, A1. Location in patent: Page/Page column 4-5
[4] Patent: US2006/79720, 2006, A1. Location in patent: Page/Page column 4
[5] Patent: US2006/79720, 2006, A1. Location in patent: Page/Page column 5

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