284474-77-7

Basic information

• Product Name: 1,3-PROPANE-D6-DIOL
• Synonyms: 1,3-PROPANE-D6-DIOL;1,1,2,2,3,3-hexadeuteriopropane-1,3-diol
• CAS NO: 284474-77-7
• Molecular Formula: C₃H₈O₂
• Molecular Weight: 82.13
• Mol File: 284474-77-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: -27 °C(lit.)
• Boiling Point: 214 °C(lit.)
• Appearance: /
• Density: 1.107 g/mL at 25 °C
• CAS DataBase Reference: 1,3-PROPANE-D6-DIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-PROPANE-D6-DIOL(284474-77-7)
• EPA Substance Registry System: 1,3-PROPANE-D6-DIOL(284474-77-7)

Safety Data

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36
• Hazardous Substances Data: 284474-77-7(Hazardous Substances Data)

Usage

Description

1,3-PROPANE-D6-DIOL, also known as Isotope labelled 1,3-Propanediol, is a common organic reagent with a unique molecular structure that includes deuterium atoms. It is widely used in various industries due to its versatile properties and applications.

Uses

Used in Polymer Synthesis:
1,3-PROPANE-D6-DIOL is used as a monomer for the synthesis of polymers, contributing to the development of materials with specific properties tailored for various applications.
Used in Industrial Organic Chemistry:
1,3-PROPANE-D6-DIOL is used as a reagent for the synthesis of lubricants, providing improved performance and durability in mechanical systems.
Used in the Food Industry:
1,3-PROPANE-D6-DIOL is used as an additive for the production of certain foods, enhancing their quality and shelf life.
Used in the Pharmaceutical Industry:
1,3-PROPANE-D6-DIOL is used as a component in the development of medicines, potentially improving their efficacy and safety.
Used in the Cosmetics Industry:
1,3-PROPANE-D6-DIOL is used as an ingredient in the formulation of cosmetics, offering benefits such as moisturization and skin protection.

Upstream product

• 4303-49-5 diethyl [²H₂]malonate 
• 36647-07-1 2,2-dideuterio-malonic acid dimethyl ester 
• 83670-42-2 d₂-malonic acid 

Downstream Products

• 144501-34-8 [1,1,2,2,3,3‐D₆]‐propane‐1,3‐diyl bis(4‐methylbenzenesulfonate) 
• 284474-43-7 3-bromopropanol-d₆ 
• 120404-22-0 [²H₆]-1,3-dibromopropane 

Relevant articles and documents

Synthesis of a Series of Structurally Diverse MB327 Derivatives and Their Affinity Characterization at the Nicotinic Acetylcholine Receptor

A novel series of 30 symmetric bispyridinium and related N-heteroaromatic bisquaternary salts with a propane-1,3-diyl linker was synthesized and characterized for their binding affinity at the MB327 binding site of nicotinic acetylcholine receptor (nAChR) from Torpedo californica. Compounds targeting this binding site are of particular interest for research into new antidotes against organophosphate poisoning, as therapeutically active 4-tert-butyl-substituted bispyridinium salt MB327 was previously identified as a nAChR re-sensitizer. Efficient access to the target compounds was provided by newly developed methods enabling N-alkylation of sterically hindered or electronically deactivated heterocycles exhibiting a wide variety of functional groups. Determination of binding affinities toward the MB327 binding site at the nAChR, using a recently developed mass spectrometry (MS)-based Binding Assay, revealed that several compounds reached affinities similar to that of MB327 (pKi=4.73±0.03). Notably, the newly prepared lipophilic 4-tert-butyl-3-phenyl-substituted bispyridinium salt PTM0022 (3 h) was found to have significantly higher binding affinity, with a pKi value of 5.16±0.07, thus representing considerable progress toward the development of more potent nAChR re-sensitizers.

Gold-catalyzed diastereoselective cycloisomerization of alkylidene-cyclopropane-bearing 1,6-diynes

An unprecedented gold-catalyzed diastereoselective cycloisomerization of 1,6-diynes bearing an alkylidene cyclopropane moiety has been developed. This methodology enables rapid access to a variety of 1,2-trimethylenenorbornanes, which are important building blocks in the preparations of abiotic and sesquiterpene core structures. When gold met alkylidenecyclopropane: Cationic gold catalysts can mediate the highly exothermic (≈60 kcal mol-1) cycloisomerization of 1,6-diynes bearing an alkylidene cyclopropane moiety. This diastereoselective methodology efficiently generates 1,2- trimethylenenorbornanes, an important building block for abiotic targets and sesquiterpene natural products. DCE=1,2-dichloroethane, Tf= trifluoromethanesulfonyl, Tol=Tolyl.

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