1313876-85-5

Basic information

• Product Name: 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine
• Synonyms: 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine
• CAS NO: 1313876-85-5
• Molecular Weight: 347.541
• Mol File: 1313876-85-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine(1313876-85-5)
• EPA Substance Registry System: 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine(1313876-85-5)

Safety Data

• Hazardous Substances Data: 1313876-85-5(Hazardous Substances Data)

Usage

Description

2,2-Dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine is a complex organic compound characterized by its unique molecular structure. It is an intermediate in the synthesis of N-[2(4-(Octylphenyl))butanoic Acid] Fingolimod, which is an impurity of Fingolimod (F805000, HCl salt). 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine plays a crucial role in the pharmaceutical industry due to its involvement in the production of Fingolimod, a novel immune modulator.

Uses

Used in Pharmaceutical Industry:
2,2-Dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine is used as an intermediate in the synthesis of Fingolimod for its immune modulating properties. Fingolimod is a novel immune modulator that prolongs allograft transplant survival in numerous models by inhibiting lymphocyte emigration from lymphoid organs. This application is significant in the field of organ transplantation, as it helps improve the success rate and longevity of transplanted organs.
Additionally, Fingolimod has been explored for its potential use in treating multiple sclerosis and other autoimmune diseases, further expanding the utility of 2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-amine in the pharmaceutical industry.

Upstream product

• 1313876-82-2 C₂₂H₂₇NO₂S₂ 
• 1313876-80-0 C₂₂H₂₇NS₂ 
• 420107-80-8 (5-benzyloxycarbonylamino-2,2-dimethyl[1,3]dioxan-5-yl)methanol 
• 88255-11-2 p-(n-octyl)benzyl bromide 
• 54256-51-8 4-octyl-benzoic acid methyl ester 
• 40016-25-9 4-n-octylbenzenemethanol 
• 17049-49-9 octylmagnesium bromide 
• 1126-46-1 Methyl 4-chlorobenzoate 
• 1313876-84-4 5-(N-Cbz-amino)-5-[2-(4-octyloxyphenyl)ethenyl]-2,2-dimethyl-1,3-dioxane 
• 95902-62-8 ((4-n-Octylphenyl)methyl)triphenylphosphonium bromide 
• 1313876-83-3 5-benzyloxycarbonylamino-2,2-dimethyl-1,3-dioxan-5-carbaldehyde 

Relevant articles and documents

NOVEL PROCESS FOR SYNTHESIZING FINGOLIMOD HYDROCHLORIDE

The invention discloses a new synthetic route of Fingolimod hydrochloride, which includes the following steps: step1, reacting compound (5) with sulfhydryl compounds 1 under alkaline conditions, and obtaining key intermediate compound (6), step2, obtaining sulfone compound 7 through oxidation reaction of compound 6, step3, obtaining key intermediate compound (9) through Knoevenagel condensation reaction of the sulfone compound (7) and raw materials (aldehyde compound 8) under alkaline conditions, step4, obtaining 5- amino - 5 - [2 - (4 - N-octyl phenyl) ethyl ] - 2,2- two methyl - 1,3- two oxygen six ring through hydrogenation reduction reaction and deaminate protection of compound (9); then removing acetonide protection in the dilute hydrochloric acid solution, obtaining hydrochloride at the same time, hence getting the target compound (1) of Fingolimod hydrochloride. The advantage of the route of synthetic are as follows: the raw materials are cheap and easily obtained, and are easily to treat after reaction. It is not only to the safety of the experiment and high yield but also to reduce the pollution of the environment.