N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide Chemical Properties

Melting point:

83-87°C

Boiling point:

567.9±50.0 °C(Predicted)

Density 

1.035

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

14.20±0.10(Predicted)

color 

White

InChI

InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)

InChIKey

XDKYDMHKJNIXAT-UHFFFAOYSA-N

SMILES

C(NC(CO)(CO)CCC1=CC=C(CCCCCCCC)C=C1)(=O)C

N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide Usage And Synthesis

Chemical Properties

Pale Yellow Solid

Uses

An intermediate in the preparation of FTY720-d4 (F805002), a labelled derivative of ISP-1 (myriocin), a fungal metabolite of the Chinese herb Iscaria sinclarii as well as a structural analogue of Sphi ngosine.

Uses

N-(1-Hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide is the starting material for the preparation of FTY 720-phosphate enantiomers immunosuppressants. Unlabelled version of N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide-d4 (B445610).

N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide(249289-10-9)Related Product Information

• N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide
• 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben
• (S) FTY720 PHOSPHATE
• Fingolimod
• Fingolimod-d4
• 2-DiMethylaMino FingoliMod
• Fingolimod Impurity 7
• Fingolimod Impurity 11
• 3-AMino-3-(hydroxyMethyl)-1-(4-octylphenyl)-1,4-butanediol
• 1,3-Propanediol, 2-amino-2-[2-(4-decylphenyl)ethyl]-
• Fingolimod Stearate Amide
• Fingolimod Impurity 4
• FingoliMod iMpurity
• Fingolimod
• Fingolimod 3-Phenethyl Analog
• diethyl 2-acetamido-2-(4-octylphenethyl)malonate
• Heptyl Deoctyl Fingolimod Hydrochloride
• Fingolimod 2-Phenethyl Analog