55577-88-3

Basic information

• Product Name: PROPIONIC-3,3,3-D3 ACID
• Synonyms: PROPIONIC ACID (METHYL-D3);PROPIONIC-3,3,3-D3 ACID;PROPIONIC-3 3 3-D3 ACID 99 ATOM % D;Propanoic acid-3,3,3-d3;Propionic acid-3,3,3-d3;Propionic--d3 Acid;Propionic Acid-d3;XBDQKXXYIPTUBI-FIBGUPNXSA-N
• CAS NO: 55577-88-3
• Molecular Formula: C₃H₆O₂
• Molecular Weight: 77.1
• Mol File: 55577-88-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: -24--23 °C(lit.)
• Boiling Point: 141 °C(lit.)
• Flash Point: 54 °C
• Appearance: /
• Density: 1.033 g/mL at 25 °C
• CAS DataBase Reference: PROPIONIC-3,3,3-D3 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: PROPIONIC-3,3,3-D3 ACID(55577-88-3)
• EPA Substance Registry System: PROPIONIC-3,3,3-D3 ACID(55577-88-3)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-36-45
• RIDADR: UN 3463 8/PG 2
• WGK Germany: 1
• Hazardous Substances Data: 55577-88-3(Hazardous Substances Data)

Usage

Uses

PROPIONIC-3,3,3-D3 ACID used in the synthesis of novel inhibitors of signal transducer and activator of transcription 3 signaling pathway in the potential treatment of human cancers. In addition it i s used in the synthesis of morphans.

Upstream product

• 7439-87-4 ethyl-2,2,2-d3 iodide 
• 124-38-9 carbon dioxide 
• 42522-59-8 [2H3]methylmalonic acid 
• 1071-46-1 hydrogen ethyl malonate 
• 54840-57-2 diethyl 2-[methyl-²H₃]methylmalonate 

Downstream Products

• 95926-99-1 2-trideuteromethyl propionic acid 
• 75695-44-2 <3,3,3-2H3>propionyl chloride 
• 61844-01-7 <3,3,3-D3>-1-Propanol 
• 1197240-87-1 (+)-2-{(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy}-2-oxoethyl (3,3,3-⁽²⁾H₃)propanoate 
• 1197240-66-6 (+)-2-{(1S)-1-[(1R)-3,3-dimethylcyclohexyl]ethoxy}-2-methylpropyl (3,3,3-⁽²⁾H₃)propanoate 

Relevant articles and documents

A five deuterium generation jasmonic, its salt, wherein the intermediate, preparation method and use

The invention discloses an 11,11,12,12,12-pentadeuterojasmonic acid disclosed as Formula 11, a salt and intermediate, and a preparation method and application thereof. The preparation method of the pentadeuterojasmonic acid comprises the following steps:

An improved procedure for the synthesis of labelled fatty acids utilizing diethyl malonate

An improved procedure for the preparation and purification of labeled fatty acids by malonic ester synthesis has been developed. This method uses the different hydrolysis rates of the monoalkylmalonic ester intermediate and its dialkylmalonic ester side p

Mechanism of Propene and Water Elimination from the Oxonium Ion CH3CH=O+CH2CH2CH3

The site-selectivity in the hydrogen transfer step(s) which result in propene and water loss from metastable oxonium ions generated as CH3CH=O+CH2CH2CH3 have been investigated by deuterium-labelling experiments.Propene elimination proceeds predominantly by transfer of a hydrogen atom from the initial propyl substituent to oxygen.However, the site-selectivity for this process is inconsistent with β-hydrogen transfer involving a four-centre transition state.The preference for apparent α- or γ-hydrogen transfer is interpreted by a mechanism in which the initial propyl cation accessible by stretching the appropriate bond in CH3CH=O+CH2CH2CH3 isomerizes unidirectionally to an isopropyl cation, which then undergoes proton abstraction from either methyl group +CH2CH2CH3 CH3CH=O---+CH2CH2CH3 +CH(CH3)2> + CH3CH=CH2>>.This mechanism involving ion-neutral complexes can be elaborated to accommodate the minor contribution of expulsion of propene containing hydrogen atoms originally located on the two-carbon chain.Water elimination resembles propene loss insofar as there is a strong preference for selecting the hydrogen atoms from the α- and γ-positions of the initial propyl group.The bulk of water loss is explicable by an extension of the mechanism for propene loss, with the result that one hydrogen atom is eventually transferred to oxygen from each of the two methyl groups in the complex +CH(CH3)2>.This site-selectivity is strikingly different from that (almost random participation of the seven hydrogen atoms of the propyl substituent) encountered in the corresponding fragmentation of the lower homologue CH2=O+CH2CH2CH3.This contrast is explained in terms of the differences in the relative energetics and associated rates of the cation rearrangement and hydrogen transfer steps.