162359-95-7

Basic information

• Product Name: N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide
• Synonyms: N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide
• CAS NO: 162359-95-7
• Molecular Formula: C₁₇H₂₃NO₅
• Molecular Weight: 321.36822
• Mol File: 162359-95-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 116-117℃
• Boiling Point: 498.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.132±0.06 g/cm3 (20 ºC 760 Torr)
• PKA: 14.61±0.46(Predicted)
• CAS DataBase Reference: N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide(162359-95-7)
• EPA Substance Registry System: N-[1,1-Bis[(acetyloxy)methyl]-3-phenylpropyl]acetamide(162359-95-7)

Safety Data

• Hazardous Substances Data: 162359-95-7(Hazardous Substances Data)

Upstream product

• 108-24-7 acetic anhydride 
• 5463-92-3 2-acetylamino-2-phenylethylmalonic acid diethyl ester 
• 103-63-9 1-phenyl-2-bromoethane 
• 1068-90-2 2-acetylaminomalonic acid diethyl ester 

Downstream Products

• 249289-07-4 2-acetamido-2-[2-(4-octanoylphenyl)ethyl]propane-1,3-diol diacetate 
• 249289-08-5 1-[4-(3-amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-octan-1-one 
• 162358-09-0 2-acetamido-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol diacetate 

Relevant articles and documents

Practical synthesis of fingolimod from diethyl acetamidomalonate

A facile six-step synthesis of fingolimod, starting from readily available and inexpensive starting material diethyl acetamidomalonate, in very good yield is demonstrated.

Synthesis and immunosuppressive activity of 2-substituted 2- aminopropane-1,3-diols and 2-aminoethanols

A series of 2-substituted 2-aminopropane-1,3-diols was synthesized and evaluated for their lymphocyte-decreasing effect and immunosuppressive effect on rat skin allograft. A phenyl ring was introduced into the alkyl chain of the lead compound 3, which is an immunosuppressive agent structurally simplified from myriocin (1, ISP-I) via compound 2. The potency of the various compounds was dependent upon the position of the phenyl ring within the alkyl side chain. The most suitable length between the quaternary carbon atom and the phenyl ring was two carbon atoms. 2-Substituted 2-aminoethanols were successively synthesized and evaluated for their T-cell-decreasing effect and immunosuppressive effect using a popliteal lymph node gain assay in rats. The absolute configuration at the quaternary carbon affected the activity, and the (pro-S)-hydroxymethyl group of compound 6 was essential for potent immunosuppressive activity. Favorable substituents for the (pro-R)- hydroxymethyl group of 6 were hydroxyalkyl (hydroxyethyl and hydroxypropyl) or lower alkyl (methyl and ethyl) groups. 2-Amino-2-[2-(4- octylphenyl)ethyl]propane-1,3-diol hydrochloride (6, FTY720) was found to possess considerable activity and is expected to be useful as an immunosuppressive drug for organ transplantation.