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

  • 2-[4-(2-Nitrophenyl)sulfonylpiperazin-2-yl]ethanol
  • (6R,7R)-7-Amino-2-(2-nitrophenyl)sulfonyl-3-propan-2-yl-2-azaspiro[3.4]octan-6-ol
  • [3-Amino-1-(2-nitrobenzenesulfonyl)piperidin-3-yl]methanol
  • N-[4-[5-(Aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-nitrobenzenesulfonamide
  • 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)piperidin-4-yl]acetic acid
  • Methyl 4-bromo-5-acetamidofuran-2-carboxylate
  • 1-Acetyl-4-methyl-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride
  • 7-Bromo-4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid
  • Methyl 1-(prop-2-yn-1-yl)cyclohex-3-ene-1-carboxylate
  • 5-[[9H-Fluoren-9-ylmethoxycarbonyl-[(3R,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-4-yl]amino]methyl]-3-methylfuran-2-carboxylic acid
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