83741-74-6

Basic information

• Product Name: PENTANOIC-3,3-D2 ACID
• Synonyms: PENTANOIC-3,3-D2 ACID
• CAS NO: 83741-74-6
• Molecular Formula: C₅H₁₀O₂
• Molecular Weight: 104.14
• Mol File: 83741-74-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: PENTANOIC-3,3-D2 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: PENTANOIC-3,3-D2 ACID(83741-74-6)
• EPA Substance Registry System: PENTANOIC-3,3-D2 ACID(83741-74-6)

Safety Data

• Hazardous Substances Data: 83741-74-6(Hazardous Substances Data)

Usage

Uses

Pentanoic-3,3-d2 Acid (CAS# 83741-74-6) is a useful isotopically labeled research compound.

Upstream product

• 40422-05-7 1-bromo-1,1-dideuteropropane 
• 996-82-7 sodium diethylmalonate 
• 167701-97-5 2,2-⁽²⁾H₂-n-butyliodide 
• 124-38-9 carbon dioxide 

Downstream Products

• 79-20-9 acetic acid methyl ester 

Relevant articles and documents

Raman spectroscopy of n-pentyl methyl ether and deuterium labelledanalogues

The Raman spectra of n-pentyl methyl ether, C5H 11OCH3, and six selectively deuteriated analogues arereported and discussed. Correlations between the observed ν(sp 3CH)stretching and bending bands and the position of the deuterium atoms in thealkyl chain are developed and refined. Similar progress is possible inassociating specific skeletal vibrations with bands in the Raman spectra. Therelevance of this study to improving the assignment of bands in the Ramanspectra of larger systems of biological interest is highlighted. Copyright

Ion-Neutral Complexes as Intermediates in the Decompositions of C5H10O2.+ Isomers

Ionized pentanoic acid, 3-methylbutanoic acid, and the enol isomer of ionized isopropyl acetate are shown to pass in part through common intermediates before decomposing to CH3C.HC(OH)2+ (7) and the "McLafferty + 1" ion CH3C(OH)2+ (10).The H transfer to form the methyl of CH3C(OH)2+ and the joining of two CH2 groups to form the C-C bond in the ethylene eliminated to produce CH3C.HC(OH)2+ are both attributed to reactions of the ion-neutral complex .H2C(OH)2+>.The McLafferty + 1 ion is also formed, especially from ionized esters, by another pathway in which complexes may or may not be intermediates.The intermediacy of the ion-neutral complexes is supported by energetic considerations, isotope effects, and the decomposition patterns of labeled ions.The latter correlate with a preference for hydrogen transfer from the end carbons of the C3 partner in other reactions proposed to be complex-mediated.Unification of the McLafferty rearrangement, the McLafferty + 1 rearrangement, and the McLafferty rearrangement with charge reversal by a common initial γ-hydrogen rearrangement followed by dissociation or isomerization in ion-neutral complexes is proposed.Group migration by 1,2-shifts, possibly by dissociation to form a double bond in one partner in an ion-neutral complex followed by addition at the opposite end of the double bond, is shown to be a general reaction of ions in the gas phase.