3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol

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Names

[ CAS No. ]:
899822-99-2

[ Name ]:
3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol

[Synonym ]:
3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol
1-Hydroxy-3-nitrodeamino Fingolimod
1,4-Butanediol, 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-
3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)-Ben

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
556.1±50.0 °C at 760 mmHg

[ Molecular Formula ]:
C19H31NO5

[ Molecular Weight ]:
353.453

[ Flash Point ]:
217.7±18.6 °C

[ Exact Mass ]:
353.220215

[ PSA ]:
106.51000

[ LogP ]:
5.84

[ Vapour Pressure ]:
0.0±1.6 mmHg at 25°C

[ Index of Refraction ]:
1.543

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • 3-Nitro-1-(4-octylphenyl)-1-propanone
  • 3-nitro-1-(4-octylphenyl)propyl acetate

DownStream

  • Fingolimod

Related Compounds

  • 3-[5-(Trifluoromethyl)thiophen-2-yl]propanal
  • (R)-Butane-1,3-diyl dimethanesulfonate
  • 2,7-Didodecylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
  • (2R,3R,4S)-5,5-Bis(benzylthio)pentane-1,2,3,4-tetraol
  • (5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(phenyl)methanone
  • tert-Butyl 4-(3-cyanobenzylidene)piperidine-1-carboxylate
  • 2-[2-Hydroxy-4-(4-methylphenyl)quinolin-3-yl]acetic acid
  • 4,5-Dichloro-6-(dichloromethyl)-2-fluoropyrimidine
  • Tricyclo[8.2.1.0,3,8]trideca-3(8),4,6-trien-13-amine
  • 1-(Methylseleno)-2,4-dinitrobenzene