68375-92-8

Basic information

• Product Name: 1,4-DIBROMOBUTANE-D8
• Synonyms: Butane-1,1,2,2,3,3,4,4-d8, 1,4-dibromo-;1,4-DIBROMOBUTANE-D8;1,4-DIBROMOBUTANE-D8, 98 ATOM % D;1,4-dibromo-1,1,2,2,3,3,4,4-octadeuteriobutane
• CAS NO: 68375-92-8
• Molecular Formula: C₄H₈Br₂
• Molecular Weight: 223.96
• Product Categories: Alphabetical Listings;D;Stable Isotopes;Isotope Labeled Compounds, Miscellaneous Reagents
• Mol File: 68375-92-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: −20 °C(lit.)
• Boiling Point: 63-65 °C6 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.874 g/mL at 25 °C
• Vapor Pressure: 0.544mmHg at 25°C
• Refractive Index: n20/D 1.516(lit.)
• CAS DataBase Reference: 1,4-DIBROMOBUTANE-D8(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-DIBROMOBUTANE-D8(68375-92-8)
• EPA Substance Registry System: 1,4-DIBROMOBUTANE-D8(68375-92-8)

Safety Data

• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45
• RIDADR: UN 2810 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 68375-92-8(Hazardous Substances Data)

Usage

Description

1,4-DIBROMOBUTANE-D8 is a deuterated analog of 1,4-Dibromobutane, a compound known for its catalytic properties in the polymerization of 2-oxazolines. This deuterated version is utilized in various research applications, particularly in the study of sulforaphane, a naturally occurring isothiocyanate found in broccoli with demonstrated anti-carcinogenic activity.

Uses

Used in Pharmaceutical Research:
1,4-DIBROMOBUTANE-D8 is used as a research compound for investigating the properties and mechanisms of action of sulforaphane. Its application aids in understanding the anti-carcinogenic effects of this naturally occurring compound found in broccoli, potentially leading to the development of novel therapeutic agents.
Used in Polymer Chemistry:
1,4-DIBROMOBUTANE-D8 is used as a catalyst analog in the polymerization of 2-oxazolines. Its deuterated nature provides a unique tool for studying the reaction mechanisms and kinetics in polymer chemistry, offering insights that can improve the efficiency and effectiveness of polymer synthesis processes.

InChI:InChI=1/C4H8Br2/c5-3-1-2-4-6/h1-4H2/i1D2,2D2,3D2,4D2

Upstream product

• 1693-74-9 tetrahydrofuran-d8 
• 74829-49-5 1,1,2,2,3,3,4,4-octadeutero-1,4-butanediol 

Relevant articles and documents

Synthetic method of lomitapide-D8

The invention provides a synthetic method of lomitapide-D8. The method comprises the following steps: 1) performing a halogenation reaction on a compound 2a and hydrobromic acid to obtain a compound 2; 2) carrying out a hydrogen abstraction reaction on a compound 1 and n-butyllithium, and then adding the compound 2 to carry out a substitution reaction to prepare a compound 3; 3) performing a condensation reaction on the compound 3 and a compound 4 to obtain a compound 5; 4) performing a condensation reaction on a compound 6 and a compound 7 to obtain a compound 8; 5) removing tert-butyloxycarbonyl protection from the compound 8 by utilizing trifluoroacetic acid to obtain a compound 9; and 6) subjecting the compound 5 and the compound 9 to a substitution reaction to obtain the lomitapide-D8. Through the method, deuterated tetrahydrofuran with relatively low price is used as a raw material to synthesize the deuterated 1,4-dibromobutane-D8 for the first time, the deuterated lomitapide-D8is successfully synthesized, and a conventional synthesis route is changed, so that deuterated atoms which are difficult to obtain reach the maximum atom economic effect.

Structure-property correlations in model compounds of oligomer liquid crystals

Structure-property correlations of the following model compounds for oligomer liquid crystals (LCs) have been investigated: monomers, C 6H5O(CH2)xCH3 (x = 4 and 5); dimers, C6H5O