52809-76-4

Basic information

• Product Name: 2-BROMOPROPANE-1,1,1,3,3,3-D6
• Synonyms: 2-BROMOPROPANE-1,1,1,3,3,3-D6;2-BroMopropane--d6
• CAS NO: 52809-76-4
• Molecular Formula: C₃H₇Br
• Molecular Weight: 129.03
• Product Categories: Aliphatics, Isotope Labelled Compounds, Miscellaneous Reagents
• Mol File: 52809-76-4.mol
• Article Data: 11

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-BROMOPROPANE-1,1,1,3,3,3-D6(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMOPROPANE-1,1,1,3,3,3-D6(52809-76-4)
• EPA Substance Registry System: 2-BROMOPROPANE-1,1,1,3,3,3-D6(52809-76-4)

Safety Data

• Hazard Codes: F,T
• Statements: 60-11-48/20-66
• Safety Statements: 53-45
• Hazardous Substances Data: 52809-76-4(Hazardous Substances Data)

Usage

Uses

2-BROMOPROPANE-1,1,1,3,3,3-D6 is labelled analogue of 2-Bromopropane, a short chain alkyl halide used in organic synthesis primarily as an alkylating agent for introducing the isopropyl functional groups.

Upstream product

• 3976-29-2 <1,1,1,3,3,3-D(6)>-Propan-2-ol 

Downstream Products

• 220505-13-5 2-[N-(diphenylmethylene)amino]-3-(²H₃-methyl),4-(²H₃)-butyronitrile 
• 29054-08-8 2-<(2)H3>methyl-<3,3,3-(2)H3>propanoic acid 
• 97732-77-9 C₉H⁽²⁾H₁₁ 
• 20201-29-0 2-phenyl<1,1,1,3,3,3-2H6>propane 
• 127208-25-7 <1-(2H3)methyl(2-2H3)ethyl>triphenylphosphonium bromide 

Relevant articles and documents

Hydrogen Rearrangements in Alkyl-, Styryl- and Alkyl Propenyl Sulfoxides

The McLafferty-type rearrangements, which are the most facile fragmentation for the styryl- and the alkyl propenyl sulfoxides, have been proven to involve at least a β-hydrogen by deuterium labelling studies. γ-Hydrogen also rearranges, yet a cyclopropane instead of an alkene is eliminated.Furthermore, alkyl propenyl sulfoxides undergo hydrogen migration only to the sulfinyl oxygen.

A stable isotope labeled 2 - isopropyl thioxanthone and its synthesis method

The invention relates to stable isotopic labeled 2-isopropylthioxanthone and a synthetic method thereof. The stable isotopic labeled 2-isopropylthioxanthone is 2-isopropylthioxanthone labeled by D or 13C. The synthetic method comprises the following steps of using benzene and acetone which are labeled by stable isotopic D or 13C as raw materials; reacting the benzene and the acetone with magnesium to obtain Grignard reagent after benzene bromination; performing reduction and hydroxide radical bromination on the acetone to obtain 2-bromic propane; performing Grignard reaction to obtain isopropyl benzene; reacting the isopropyl benzene with dithio-salicylic acid; and synthesizing to obtain the 2-isopropylthioxanthone labeled by the stable isotopic D or 13C. Compared with the prior art, the stable isotopic labeled 2-isopropylthioxanthone has the advantages that a process route is simple, the 2-isopropylthioxanthone is easy to synthesize, products are easy to separate and purify, the chemical purity of the products is above 99.0%, isotope abundance is above 98.0% atom, requirements of trace detection in the field of food safety can be met fully, and economical efficiency and using value are excellent.

Synthesis of isotopically labelled 2-isopropylthioxanthone from 2,2′-dithiosalicylic acid and deuterium cumene

Two efficient synthetic routes of stable deuterium labelled 2-isopropylthioxanthone were presented with 98.1% and 98.8% isotopic abundance in acceptable yields and excellent chemical purities. Their structures and the isotope-abundance were confirmed according to proton nuclear magnetic resonance and liquid chromatography–mass spectrometry.

Intermediacy of ion neutral complexes in the fragmentation of short-chain dialkyl sulfides

The main fragmentation processes after electron ionization of butyl methyl and butyl ethyl sulfides are rationalized by the intermediacy of the ion neutral complex [RSH · methylcyclopropane](+·) as demonstrated by extensive labeling and collision activation studies.