1107647-82-4

Basic information

• Product Name: (2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propyl stearate
• Synonyms: (2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propyl stearate
• CAS NO: 1107647-82-4
• Molecular Weight: 511.186
• Mol File: 1107647-82-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propyl stearate(CAS DataBase Reference)
• NIST Chemistry Reference: (2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propyl stearate(1107647-82-4)
• EPA Substance Registry System: (2S)-1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propyl stearate(1107647-82-4)

Safety Data

• Hazardous Substances Data: 1107647-82-4(Hazardous Substances Data)

Upstream product

• 111-63-7 vinyl stearate 
• 56718-76-4 (+/-)-1-[4-(2-methoxyethyl)phenoxy]-3-chloro-2-propanol 

Downstream Products

• 112-61-8 Methyl stearate 
• 133397-54-3 (R)-2-{[4-(2-methoxyethyl)phenoxy]methyl}oxirane 

Relevant articles and documents

Chemoenzymatic synthesis of the potential antihypertensive agent (2R,2′S)-β-hydroxyhomometoprolol

The kinetic resolution of 1-chloro-3-[4-(2-methoxyethyl)phenoxy]-2-propanol rac-4 with Novozym 435 and vinyl stearate, a key step in the gram-scale synthesis of (2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-1-butanol (R,S)-1 a potent antihypertensive agent currently under investigation, is reported here. Our approach differs from the previously reported synthesis, which involves a tedious and poorly effective fractional crystallization of (R,S)-1. This novel approach incorporates an enzymatic resolution for the efficient preparation of the oxirane precursor (R)-3. The two main advantages arising from this strategy are the high enantioselectivity of the enzymatic process and the facilitated recovery of the hydrophobic stearate intermediate (S)-5.