885605-36-7

Basic information

• Product Name: N-[2,2-DiMethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbaMic acid 1,1-diMethylethyl ester
• Synonyms: N-[2,2-DiMethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbaMic acid 1,1-diMethylethyl ester
• CAS NO: 885605-36-7
• Molecular Formula: C₂₇H₄₅NO₄
• Molecular Weight: 447.6505
• Mol File: 885605-36-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 63℃
• Appearance: /
• CAS DataBase Reference: N-[2,2-DiMethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbaMic acid 1,1-diMethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-[2,2-DiMethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbaMic acid 1,1-diMethylethyl ester(885605-36-7)
• EPA Substance Registry System: N-[2,2-DiMethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbaMic acid 1,1-diMethylethyl ester(885605-36-7)

Safety Data

• Hazardous Substances Data: 885605-36-7(Hazardous Substances Data)

Upstream product

• 885605-35-6 tert-butyl 2,2-dimethyl-5-[(4-octylphenyl)ethynyl]-1,3-dioxan-5-ylcarbamate 
• 1004539-27-8 (E)-tert-butyl [2,2-dimethyl-5-(4-octanoylstyryl)-1,3-dioxan-5-yl]carbamate 
• 1004539-31-4 tert-butyl [2,2-dimethyl-5-(4-octanoylphenethyl)-1,3-dioxan-5-yl]carbamate 
• 724452-72-6 4-(bromomethyl)-N-methoxy-N-methylbenzamide 
• 1004539-30-3 tert-butyl (5-{4-[methoxy(methyl)carbamoyl]phenethyl}-2,2-dimethyl-1,3-dioxan-5-yl)carbamate 
• 13125-66-1 n-heptylmagnesium bromide 
• 122334-36-5 N-methoxy-N,4-dimethylbenzamide 
• 874-60-2 4-methyl-benzoyl chloride 
• 99-94-5 p-Toluic acid 
• 133826-41-2 4-n-octyliodobenzene 
• 364631-74-3 5-ethynyl-2,2-dimethyl-[1,3]dioxan-(N-tert-butyloxycarbonyl)-5-ylamine 
• 1373549-76-8 tert-butyl [2,2-dimethyl-5-(4-octanoylstyryl)-1,3-dioxan-5-yl]carbamate 
• 139512-81-5 1-(4-Bromomethyl-phenyl)-octan-1-one 
• 1373549-77-9 Br^(1-)*C₃₃H₃₆OP⁽¹⁺⁾ 

Downstream Products

• 162359-55-9 fingolimod 

Relevant articles and documents

Synthesis of Fingolimod Employing Regioselective Aziridine Ring-Opening Reaction as a Key Step

An efficient and scalable synthesis of the immunomodulating drug fingolimod hydrochloride has been developed with the aziridine regioselective ring-opening reaction as a key step. This manuscript describes design, detailed synthetic route scouting, and optimization study of the aziridine ring-opening reaction. As a starting material for the polar part of the fingolimod molecule, cheap, common, and widely commercially available tris(hydroxymethyl)aminomethane was used. n-Octyl group was introduced into the molecule either via Kumada or Negishi cross-couplings, or alternatively by Sonogashira cross-coupling followed by hydrogenation. The final step consists of a one-pot acidic deprotection both of the acetonide and Boc group, providing thus highly pure fingolimod hydrochloride from the crude reaction mixture directly. The described process is highly effective, is industrially applicable, and has been successfully applied to 500 g scales of the target product.

A METHOD FOR THE PREPARATION OF FINGOLIMOD

The invention relates to a method of preparation of 2-amino-2-[2-(4-octylphenyl)- ethyl]propane-1,3-diol (I), comprising opening of the aziridine ring of the intermediates (LVI) by the treatment with organometallic compounds, preferably the Grignard reage

Weinreb amide based new synthetic equivalents for convenient access to immunosuppressive agent FTY720 and analogues

Three new synthetic equivalents containing Weinreb amide functionality for the central core of FTY720, an immunosuppressive agent, have been developed. These synthetic equivalents enabled incorporation of the polar head group of FTY720, through Julia, Wit