249289-10-9

Basic information

• Product Name: N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
• Synonyms: Fingo A-2 N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide;Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]-;N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide;N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide
• CAS NO: 249289-10-9
• Molecular Formula: C₂₁H₃₅NO₃
• Molecular Weight: 349.5075
• Mol File: 249289-10-9.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 567.879 °C at 760 mmHg
• Flash Point: 297.243 °C
• Appearance: /
• Density: 1.035
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide(249289-10-9)
• EPA Substance Registry System: N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide(249289-10-9)

Safety Data

• Hazardous Substances Data: 249289-10-9(Hazardous Substances Data)

Usage

Description

N-(1-Hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide is a complex organic compound characterized by its pale yellow solid appearance. It serves as a crucial starting material in the synthesis of pharmaceutical compounds, specifically FTY 720-phosphate enantiomers, which are known for their immunosuppressive properties.

Uses

Used in Pharmaceutical Industry:
N-(1-Hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide is used as a starting material for the preparation of FTY 720-phosphate enantiomers, which are immunosuppressants. These enantiomers play a significant role in the development of medications that help suppress the immune system, making them useful in treating various autoimmune diseases and preventing organ transplant rejection.
Additionally, the unlabelled version of N-(1,1-Bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide-d4 (B445610) is utilized in the synthesis process, further contributing to the development of immunosuppressive drugs.

Upstream product

• 1674-37-9 n-octanophenone 
• 71-43-2 benzene 
• 1620230-21-8 N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)allyl]acetamide 
• 1620230-20-7 N-[1,1-bis(hydroxymethyl)-3chloro-(4-octylphenyl)propyl]acetamide 
• 10541-56-7 4-n-octylacetophenone 
• 122-79-2 Phenyl acetate 
• 1068-90-2 2-acetylaminomalonic acid diethyl ester 
• 268557-49-9 2-(acetylamino)-2-[2-(4-octylphenyl)-2-oxo-ethyl]propanedioic acid diethyl ester 
• 2189-60-8 Octylbenzene 
• 64068-76-4 α-bromomethyl p(n-octyl)phenyl cetone 
• 162358-03-4 2-(4-octanoylphenyl)ethyl acetate 
• 162358-06-7 4-octylphenethyl methanesulfonate 
• 162358-04-5 acetic acid 2-(4-octylphenyl)ethyl ester 
• 162358-05-6 2-(4-Octylphenyl)ethyl alcohol 

Downstream Products

• 162358-09-0 2-acetamido-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol diacetate 
• 1262962-14-0 fingolimod hydrobromide 
• 162359-55-9 fingolimod 
• 402616-26-6 (S)-fingolimod phosphate 
• 856571-72-7 Acetic acid (R)-2-methyl-4-[2-(4-octyl-phenyl)-ethyl]-4,5-dihydro-oxazol-4-ylmethyl ester 
• 836608-88-9 (S)-[2-methyl-4-[2-(4-octylphenyl)ethyl]oxazoline-4-yl]methanol 
• 836608-95-8 (R)-2-Methyl-4-[2-(4-octyl-phenyl)-ethyl]-4,5-dihydro-oxazole-4-carbaldehyde 

Relevant articles and documents

A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF

The present disclosure relates to processes for the preparation of 2-amino-1,3-propane diol compounds and their hydrochloride salts. Particularly, the present disclosure relates to processes for synthesizing 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol and its hydrochloride salt 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride respectively. The said process is safe, commercially feasible for large-scale synthesis and has improved efficacy along with many other advantages. The present disclosure also relates to the novel polymorphs of 2-amino-1,3-propane diol compound and its hydrochloride salt, where in 2-amino-1,3-propane diol compound is 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol, and its hydrochloride salt is 2-amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride.

PREPARATION OF FINGOLIMOD AND ITS SALTS

The present application provide processes for the preparation of fingolimod and its pharmaceutically acceptable salts, process for the purification of fingolimod hydrochloride and process for the preparation of amorphous fingolimod hydrochloride.

INTERMEDIATES AND PROCESS FOR THE PREPARATION OF HIGH PURITY FINGOLIMOD HYDROCHLORIDE

The present invention relates to a simple and commercially feasible preparation of Fingolimod hydrochloride with high purity of greater than 99.9%. The.present invention also provides novel intermediates for the preparation of Fingolimod Hydrochloride of Formula 1.