2-(HYDROXYMETHYL)-1,3-PROPANEDIOL Chemical Properties

Melting point:

63-68 °C (dec.) (lit.)

Boiling point:

158 °C(Press: 1.5 Torr)

Density 

1.213±0.06 g/cm3(Predicted)

Flash point:

89 °C

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

14.10±0.10(Predicted)

Appearance

Off-white to light yellow Solid

BRN 

1733340

InChI

InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2

InChIKey

SFRDXVJWXWOTEW-UHFFFAOYSA-N

SMILES

C(O)C(CO)CO

CAS DataBase Reference

4704-94-3(CAS DataBase Reference)

Safety Information

Safety Statements 

22-24/25

WGK Germany 

3

F 

3

MSDS

• Language:English Provider:SigmaAldrich

2-(HYDROXYMETHYL)-1,3-PROPANEDIOL Usage And Synthesis

Uses

2-(Hydroxymethyl)propane-1,3-diol is a useful reactant for the preparation of tetracyanocyclopentadienide amine salts.

Synthesis Reference(s)

Synthesis, p. 742, 1987 DOI: 10.1055/s-1987-28072

Synthesis

The general procedure for the synthesis of 2-hydroxymethyl-1,3-propanediol using the compound (CAS:113967-50-3) as starting material was as follows: the white powder (360 g, 0.86 mol) obtained in step (2) was dissolved in methanol (2L), followed by the addition of sodium methanolate (139 g, 2.58 mol). The reaction mixture was heated to reflux and kept for 20 hours. After completion of the reaction, the solvent was removed by evaporation. The residue was washed twice with chloroform and the organic phases were combined. The organic phase was dried over anhydrous sodium sulfate and concentrated. The concentrated product was crystallized in isobutanol to give 82 g of white powdered 2-hydroxymethyl-1,3-propanediol in 90% yield.

References

[1] Synthesis, 1987, # 8, p. 742 - 744
[2] Patent: CN108440455, 2018, A. Location in patent: Paragraph 0066; 0076-0078; 0100; 0122

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