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6400-97-1 Usage

Uses

3-Pentanone-2,2,4,4-d4 (CAS# 6400-97-1) is a useful isotopically labeled research compound.

Check Digit Verification of cas no

The CAS Registry Mumber 6400-97-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,0 and 0 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6400-97:
(6*6)+(5*4)+(4*0)+(3*0)+(2*9)+(1*7)=81
81 % 10 = 1
So 6400-97-1 is a valid CAS Registry Number.

6400-97-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-PENTANONE-2,2,4,4-D4

1.2 Other means of identification

Product number -
Other names pentane-3-one-dimethylhydrazone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6400-97-1 SDS

6400-97-1Upstream product

6400-97-1Downstream Products

6400-97-1Relevant articles and documents

Mead,Williams

, p. 1654,1657 (1971)

Potential Energy Profiles for Unimolecular Reactions of Isolated Organic Ions: CH3CH2CH=N(+)HCH3 and (CH3)2C=N(+)HCH3

Bowen, Richard D.

, p. 403 - 408 (1982)

The slow unimolecular reactions of metastable CH3CH2CH=N(+)HCH3 and (CH3)2C=N(+)HCH3 ions are reported and discussed.Details of the mechanisms of these reactions are elucidated by 2H-labelling studies.Loss of C3H6 from these C4H10N(+) ions shown to occur after irreversible isomerisation to CH3CH2CH2N(+)H=CH2 and related structures.The behaviour of CH3CH2CH=N(+)HCH3 and (CH3)2C=N(+)HCH3 is compared with that of the lower homologues and contrasted with that of the oxonium ion analogues CH3CH2CH=O(+)CH3 and (CH3)2C=O(+)CH3.

Highly efficient C-C bond-forming reactions in aqueous media catalyzed by monomeric vanadate species in an apatite framework

Hara, Takayoshi,Kanai, Satoko,Mori, Kohsuke,Mizugaki, Tomoo,Ebitani, Kohki,Jitsukawa, Koichiro,Kaneda, Kiyotomi

, p. 7455 - 7462 (2007/10/03)

A calcium vanadate apatite (VAp), in which PO43- of hydroxyapatite (HAP), Ca10(PO4)6(OH) 2, is completely substituted by VO43- in the apatite framework, was synthesized. Physicochemical analysis of the VAp reveals the presence of isolated VO4 tetrahedron units with a pentavalent oxidation state. The VAp acts as a high-performance heterogeneous base catalyst for various carbon-carbon bond-forming reactions such as Michael and aldol reactions in aqueous media and the H-D exchange reactions using deuterium oxide. For example, a 200-mmol-scale Michael reaction under triphasic conditions proceeded rapidly, with an extremely high turnover number of up to 260 400 and an excellent turnover frequency of 48 s-1. No vanadium leaching was detected during the above reactions, and the catalyst was readily recycled with no loss of activity.

Stereochemical analysis of deuterated alkyl chains by MS/MS

Morizur,Taphanel,Mayer, Philip S.,Morton, Thomas Hellman

, p. 381 - 387 (2007/10/03)

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.

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