76785-05-2

Basic information

• Product Name: Dimethyl (2,2,5,5-~2~H_4_)hexanedioate
• Synonyms: 1OV4VO1 & & Deutero-D4 (2,2,5,5-); 76785-05-2; Dimethyl (2,2,5,5-2H4)hexanedioate; Dimethyl hexanedioate-2,2,5,5-d4; Hexanedioic-2,2,5,5-d4 acid, dimethyl ester
• CAS NO: 76785-05-2
• Molecular Formula: C₈H₁₄O₄
• Molecular Weight: 178.219
• Mol File: 76785-05-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 228.664°C at 760 mmHg
• Flash Point: 107.222°C
• Density: 1.064g/cm³
• Vapor Pressure: 0.073mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: Dimethyl (2,2,5,5-~2~H_4_)hexanedioate(CAS DataBase Reference)
• NIST Chemistry Reference: Dimethyl (2,2,5,5-~2~H_4_)hexanedioate(76785-05-2)
• EPA Substance Registry System: Dimethyl (2,2,5,5-~2~H_4_)hexanedioate(76785-05-2)

Safety Data

• Hazardous Substances Data: 76785-05-2(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 19031-55-1 <2,2,5,5-(2)H4>adipic acid 
• 627-93-0 hexanedioic acid dimethyl ester 

Relevant articles and documents

The mechanisms of n-butyllithium induced β-cleavage of 2-methyltetrahydrofuran and oxepane

The n-butyllithium induced β-cleavage reactions of 2-methyltetrahydrofuran and oxepane operate via different mechanisms. 2-Methyltetrahydrofuran undergoes an E2 elimination, whilst oxepane undergoes an α,β′-elimination involving initial deprotonation at the α-position followed by a transannular hydrogen transfer.

PREPARATION OF CYCLOHEPTANOLS SYMMETRICALLY LABELLED WITH DEUTERIUM

Cycloheptanols labelled symmetrically with deuterium in "inaccessible" positions were prepared by multistep syntheses.The key intermediates of the syntheses were the corresponding labelled octanedioic acids.The method of two-phase oxidation of olefins to