161717-32-4

Basic information

• Product Name: 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]-
• Synonyms: 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]-;2,4,6-TRIS(TERT-BUTYL)PHENYL-2-BUTYL-2-ETHYL-1,3-PROPANEDIOLPHOSPHITE;ULTRANOXXR2677;2,4,6-TRI-TERT-BUTYLPHENYLCYCLICPHOSPHITEOFBUTYLETHYLPROPANEDIOL;2,4,6-Tri-tert-Butylphenyl, 2-butyl, 2-ethyl, 1,3 propandiolphosphit;5-Butyl-5-ethyl-2-(2,4,6-tris(1,1-dimethylethyl) phenoxy)-1,3,2-dioxaphosphorinane
• CAS NO: 161717-32-4
• Molecular Formula: C₂₇H₄₇O₃P
• Molecular Weight: 450.63
• EINECS: 423-560-1
• Mol File: 161717-32-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 432.933°C at 760 mmHg
• Flash Point: 267.802°C
• Appearance: /
• Vapor Pressure: 0mmHg at 25°C
• CAS DataBase Reference: 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]-(161717-32-4)
• EPA Substance Registry System: 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]-(161717-32-4)

Safety Data

• Hazardous Substances Data: 161717-32-4(Hazardous Substances Data)

Usage

Description

1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]is a complex organic chemical compound characterized by a dioxaphosphorinane ring, which is a heterocyclic ring containing three oxygen atoms and one phosphorous atom. This ring is attached to a butyl-ethyl group, providing alkyl chain functionality, and a phenoxy group with bulky tert-butyl substituents, contributing significant steric hindrance. The unique combination of these structural elements endows the compound with distinctive chemical properties, which may find applications in various fields, such as pharmaceuticals or agriculture. Further research and investigation are required to explore its exact properties and potential uses.

Uses

Used in Pharmaceutical Industry:
1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]may be utilized as a pharmaceutical compound for its unique chemical properties, which could be harnessed for the development of new drugs or drug delivery systems. The steric hindrance and alkyl chain functionalities may offer advantages in the design of molecules with specific binding affinities or selectivity towards biological targets.
Used in Agricultural Industry:
In agriculture, 1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]could be explored as a potential component in the development of agrochemicals, such as pesticides or herbicides. Its unique structure may provide novel modes of action or selectivity towards target pests or weeds, offering new solutions for crop protection.
Used in Research Applications:
1,3,2-Dioxaphosphorinane, 5-butyl-5-ethyl-2-[2,4,6-tris(1,1-dimethylethyl)phenoxy]may also serve as a valuable research tool in the synthesis and study of complex organic molecules. Its unique structural features could be employed to investigate new synthetic pathways, reaction mechanisms, or to develop new analytical methods for the characterization of similar compounds.

InChI:InChI=1/C27H47O3P/c1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h16-17H,12-15,18-19H2,1-11H3

Synthetic route

5-butyl-2-chloro-5-ethyl-[1,3,2]dioxaphosphinane (19952-58-0) + 2,4,6-tri-tert-butylphenoxol (732-26-3) → 2,4,6-tris(tert-butyl)phenyl 2-butyl-2-ethyl-1,3-propanediol phosphite (161717-32-4)

Conditions	Yield
Stage #1: 5-butyl-2-chloro-5-ethyl-[1,3,2]dioxaphosphinane; 2,4,6-tri-tert-butylphenoxol With tri-n-propylamine at 60 - 120℃; for 3h; Stage #2: With 1,8-diazabicyclo[5.4.0]undec-7-ene at 26 - 120℃; for 1h;	51.45 %Chromat.

Upstream product

• 19952-58-0 5-butyl-2-chloro-5-ethyl-[1,3,2]dioxaphosphinane 
• 732-26-3 2,4,6-tri-tert-butylphenoxol 

Relevant articles and documents

Process for the preparation of acid esters

The present invention is directed to a process for the preparation of sterically hindered acid esters, e.g., organic phosphites, comprising contacting a sterically hindered hydroxyl-containing compound with an acid halide in the presence of an acid acceptor selected from the group consisting of: 1,5-diazabicyclo[4.3.0]non-5-ene (DBN), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU), 4-(dimethylamino)pyridine (DMAP), 1,4-diazabicyclo[2.2.2]octane (DABCO), or mixtures thereof, wherein said an acid acceptor is present in an amount sufficient to drive the reaction to completion.