1,3-Bis[(2H3)methyloxy]benzene

Modify Date: 2024-01-08 14:16:40

1,3-Bis[(2H3)methyloxy]benzene Structure
1,3-Bis[(2H3)methyloxy]benzene structure
Common Name 1,3-Bis[(2H3)methyloxy]benzene
CAS Number 16469-85-5 Molecular Weight 144.201
Density 1.0±0.1 g/cm3 Boiling Point 217.5±0.0 °C at 760 mmHg
Molecular Formula C8H4D6O2 Melting Point N/A
MSDS N/A Flash Point 87.8±0.0 °C

 Use of 1,3-Bis[(2H3)methyloxy]benzene


1,3-Dimethoxybenzene-d6 is the deuterium labeled 1,3-Dimethoxybenzene[1]. 1,3-Dimethoxybenzene belongs to the class of organic compounds known as dimethoxybenzenes. 1,3-Dimethoxybenzene is an intermediate in synthesis of organic compounds[2].

 Names

Name 1,3-dimethoxy-d6-benzene
Synonym More Synonyms

 1,3-Bis[(2H3)methyloxy]benzene Biological Activity

Description 1,3-Dimethoxybenzene-d6 is the deuterium labeled 1,3-Dimethoxybenzene[1]. 1,3-Dimethoxybenzene belongs to the class of organic compounds known as dimethoxybenzenes. 1,3-Dimethoxybenzene is an intermediate in synthesis of organic compounds[2].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Gregory Michael Shutske, et al. Process for the preparation of 2-chloro-1,3-dimethoxybenzene. EP0067342A1

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 217.5±0.0 °C at 760 mmHg
Molecular Formula C8H4D6O2
Molecular Weight 144.201
Flash Point 87.8±0.0 °C
Exact Mass 144.105743
PSA 18.46000
LogP 1.93
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.488
Storage condition 2-8°C

 Synthetic Route

~6%

1,3-Bis[(2H3)methyloxy]benzene Structure

1,3-Bis[(2H3)me...

CAS#:16469-85-5

Literature: Fitjer, Lutz; Steeneck, Christoph; Gaini-Rahimi, Said; Schroeder, Ulrike; Justus, Karl; Puder, Peter; Dittmer, Martin; Hassler, Carla; Weiser, Juerg; Noltemeyer, Mathias; Teichert, Markus Journal of the American Chemical Society, 1998 , vol. 120, # 2 p. 317 - 328

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

1,3-bis-tert-butylsulfanyl-propane
1,3-Bis-tert-butylmercapto-propan
2,2,8,8-Tetramethyl-3,7-dithianonan
Di-tert.-butylthio-1.3-propan
1.3-Bis-<tert-butyl-thio>-propan
1,3-bis-trideuteriomethoxybenzene
1,3-Bis[(H)methyloxy]benzene
Benzene, 1,3-bis(methyl-d-oxy)-