Siponimod Chemical Properties

Boiling point:

331.9±37.0 °C(Predicted)

Density 

1.063±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

14.26±0.10(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3

InChIKey

UAOSVSMWAUFYMM-UHFFFAOYSA-N

SMILES

C(=O)(C1=CC=C(CO)C(CC)=C1)C

Safety Information

HS Code 

2914409000

Siponimod Usage And Synthesis

Physical Form

Solid

Uses

1-3-Ethyl-4-(hydroxymethyl)-phenyl)ethanone is a reagent used in the prepration of Siponimod, it''s salts ans solid forms of the compound.

Synthesis

1-Iodo-4-bromo-2-ethylbenzene was synthesized from 2-ethylaniline by a one-pot reaction of aminoprotection, bromination, deprotection and iodination, and then 4-bromo-2-ethylbenzyl alcohol was synthesized from 4-bromo-2-ethylbenzyl alcohol by a one-pot reaction of Gergel exchange aldolization and reduction, and 1-(3-ethyl-4-hydroxymethyl) was synthesized from 1-(3-ethyl-4-hydroxymethyl) phenyl ketone by a total reaction of hydroxylation, Gergel reaction, acetylation and deprotection in 9 steps. The total yield of the reaction was 50.9%, and the GC content of the product was 98.3%.

Siponimod(1378888-43-7)Related Product Information

• Hydroxylamine, O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]-