114985-62-5

Basic information

• Product Name: hexadeuteriodimethylmethoxysulfonium p-toluenesulfonate
• Synonyms: hexadeuteriodimethylmethoxysulfonium p-toluenesulfonate
• CAS NO: 114985-62-5
• Molecular Weight: 220.238
• Mol File: 114985-62-5.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: hexadeuteriodimethylmethoxysulfonium p-toluenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: hexadeuteriodimethylmethoxysulfonium p-toluenesulfonate(114985-62-5)
• EPA Substance Registry System: hexadeuteriodimethylmethoxysulfonium p-toluenesulfonate(114985-62-5)

Safety Data

• Hazardous Substances Data: 114985-62-5(Hazardous Substances Data)

Upstream product

• 3976-29-2 <1,1,1,3,3,3-D(6)>-Propan-2-ol 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 135388-79-3 CD₃CHOC₆H₅CD₃ 

Relevant articles and documents

Kinetic isotope effects on the 1,3-intramolecular insertion reaction of t-butylchlorocarbene

The primary kinetic isotope effect for the 1,3-CH(D) insertion reaction of t-butylchlorocarbene-d6 ranges from 3.25 at -12 °C to 2.14 at 118 °C; tunneling is not apparent in this temperature interval.

THYROID HORMONE RECEPTOR AGONISTS AND USES THEREOF

Described herein are methods and compositions for the treatment of conditions, diseases, or disorders associated with thyroid hormone receptor activity. The methods and compositions disclosed herein include the use of at least one thyroid hormone receptor agonist.

Stereochemical analysis of deuterated alkyl chains by MS/MS

Vicinally deuterated sec-alkyl phenyl ethers, CH3(CH2)(m)CH(OPh)CHD(CH2)(n)CH3, display significant differences in mass spectra between threo and erythro stereoisomers. MS/MS experiments, in which parent ions of a single mass are selected and their fragmentation patterns subsequently measured, show that alkene expulsion represents virtually the only decomposition pathway. Two types of MS/MS experiment are reported: mass- analyzed ion kinetic energy (MIKE) spectroscopy of metastable ions and collisionally activated decomposition (CAD) of stable ions. The expulsion of a deuterated alkene from a monodeuterated precursor yields ionized phenol, PhOH·+ (m/z 94). The expulsion of an undeuterated alkene yields PhOD·+ (m/z 95). Without exception, the ratios (PhOD·+/PhOH·+) from precursors in the threo series have values greater than their diastereomers in the erythro series. The ratio of ratios, r = PhOD·+/PhOH·+ for the threo divided by PhOD·+/PhOH·+ for the erythro, has a value of 1.2 for the 2- phenoxy-3-deuteriobutanes and larger values for all of the higher homologues up through the monodeuterated phenoxyoctanes (m + n = 4). The highest degree of stereoselectivity, r = 5.8, is measured for 3-phenoxy-4-deuteriohexane. Experiments with multiply deuterated analogues show that alkene elimination is highly regioselective, unlike the corresponding decompositions of ionized sec-alcohols or their acetates. The fact that a large fraction of ionized sec-alkyl phenyl ethers undergo stereospecific syn-elimination means that mass spectrometry has a useful capacity to distinguish one isotopically labeled diastereomer from another.