16469-85-5

16469-85-5 structure

Name: 1,3-Bis[(2H3)methyloxy]benzene
Chemical Name: 1,3-dimethoxy-d6-benzene
CAS Number: 16469-85-5
Molecular Formula: C₈H₄D₆O₂
Molecular Weight: 144.201
Catalog: Research Areas Others
Create Date: 2018-03-19 08:00:00
Modify Date: 2024-01-08 14:16:40
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].

Name	1,3-dimethoxy-d6-benzene
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)-

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	Research Areas >> Others Signaling Pathways >> Others >> Others
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

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

865-50-9

108-46-3

~6%

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 2
865-50-9 108-46-3
DownStream 0

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