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

Modify Date: 2024-01-09 18:38:04

3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol Structure
3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol structure
Common Name 3-(Hydroxymethyl)-3-nitro-1-(4-octylphenyl)-1,4-butanediol
CAS Number 899822-99-2 Molecular Weight 353.453
Density 1.1±0.1 g/cm3 Boiling Point 556.1±50.0 °C at 760 mmHg
Molecular Formula C19H31NO5 Melting Point N/A
MSDS N/A Flash Point 217.7±18.6 °C

 Names

Name 3-(hydroxymethyl)-3-nitro-1-(4-octylphenyl)butane-1,4-diol
Synonym More Synonyms

 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

~50%

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

3-(Hydroxymethy...

CAS#:899822-99-2

Literature: SYNTHON BV; GIELING, Reinerus Gerardus Patent: WO2012/41707 A1, 2012 ; Location in patent: Page/Page column 12-13 ;

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

3-(Hydroxymethy...

CAS#:899822-99-2

Literature: WO2012/41359 A1, ; WO2012/41405 A1, ;

~%

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

3-(Hydroxymethy...

CAS#:899822-99-2

Literature: WO2012/56458 A2, ;

~%

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

3-(Hydroxymethy...

CAS#:899822-99-2

Literature: WO2012/56458 A2, ;

 Synonyms

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