84965-36-6

Basic information

• Product Name: N-BUTYRALDEHYDE-D8
• Synonyms: N-BUTYRALDEHYDE-D8;Butanal-d8;Butyraldehyde-d
• CAS NO: 84965-36-6
• Molecular Formula: C₄H₈O
• Molecular Weight: 80.16
• Mol File: 84965-36-6.mol

Chemical Properties

• Flash Point: -5℃
• Appearance: /
• Density: 0.887 g/mL at 25℃
• CAS DataBase Reference: N-BUTYRALDEHYDE-D8(CAS DataBase Reference)
• NIST Chemistry Reference: N-BUTYRALDEHYDE-D8(84965-36-6)
• EPA Substance Registry System: N-BUTYRALDEHYDE-D8(84965-36-6)

Safety Data

• RIDADR: UN1129 - class 3 - PG 2 - Butyraldehyde
• Hazardous Substances Data: 84965-36-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
n-Butyraldehyde-d8 is used as an intermediate in the synthesis of Budesonide-d8 for its anti-inflammatory properties. This labeled compound is particularly useful in research and development, as well as in the production of medications that target inflammation and related conditions.
Used in Research and Development:
n-Butyraldehyde-d8 is employed as a deuterated compound in various research applications, where it can provide insights into the behavior and properties of molecules in different chemical environments. The presence of deuterium atoms allows for enhanced analytical techniques, such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, to be utilized in studying the compound and its interactions with other molecules.

Upstream product

• 34193-38-9 butan-1,1,2,2,3,3,4,4,4-d9-1-ol-d 

Downstream Products

• 1129526-32-4 (R)-d8-2-(N-phenyl-aminooxy)-butan-1-ol 
• 1195763-25-7 [23,23,24,24,25,25,25-2H7]-16α,17α-(butylidenedioxy)-11β,21-dihydroxypregna-1,4,23-triene-3,20-dione 
• 1105542-94-6 [22,23,23,24,24,25,25,25-2H8]-16α,17α-(butylidenedioxy)-11β,21-dihydroxypregna-1,4,23-triene-3,20-dione 

Relevant articles and documents

CLICK-MASS SPECTROMETRY OF ALKYNE-LABELED COMPOUNDS

The present invention relates to specific nitrogen containing compounds of formulas (I), (II) and (IV) of the present invention, which are suitable to be used in a method to detect alkyne group containing organic compounds by mass spectrometry. Furthermore, the present invention relates to methods for the synthesis of these compounds and for the detection of organic compounds containing the specific compounds of the present invention, uses of the compounds in mass spectrometry, for determining enzyme activity or monitoring the lipid metabolism in a cell, and a kit, which contains at least one of these compounds and at least one internal standard.

A convenient synthesis of amino acid-derived precursors to the important wine aroma 3-sulfanylhexan-1-ol (3SH)

A convenient, straightforward synthesis of the important amino acid-derived aroma precursors, 3-S-cysteinylhexan-1-ol (Cys-3SH) and 3-S-glutathionylhexan-1-ol (GSH-3SH) from commercially available butan-1-ol is reported. The versatility of this approach to include deuterium labelling is also demonstrated.

First synthesis of 3-S-glutathionylhexanal-d8 and its bisulfite adduct

3-Sulfanylhexan-1-ol (3SH) is an impact odorant of white wines, imparting tropical fruit aromas. A reliable synthetic pathway to 3-S-glutathionylhexanal (glut-3SH-al), a precursor to 3SH that has not been intensively studied, was developed starting from 1-butanol. Application of this synthesis to 1-butanol-d10, conserved eight deuteriums, producing glut-3SH-al-d8, which can be used as an internal standard for future work on the occurrence and evolution of glut-3SH-al in wine systems. Additionally, both glut-3SH-SO3 and glut-3SH-SO3-d8 were synthesised from the corresponding aldehyde, enabling further study of the role of these bisulfite adducts in 3SH biogenesis.

DEUTERATED N-BUTYL BUMETANIDE

The present invention provides a compound of Formula I: as defined herein, or a pharmaceutically acceptable salt thereof.

Elucidating the formation pathway of the off-flavor compound 6-propylbenzofuran-7-ol

In a previous work, we identified 6-propylbenzofuran-7-ol as an off-flavor compound formed from ascorbic acid and (E)-hex-2-enal in a test apple beverage. In this study, we elucidate the pathway by which 6-propylbenzofuran-7-ol formed. Isotope labeling studies revealed that the propyl group of 6-propylbenzofuran- 7-ol derives from (E)-hex-2-enal and that 6-propylbenzofuran-7-ol contains carbons 2-6 of ascorbic acid. Two compounds, namely, 2,3-dihydro-6- propylbenzofuran-3,7-diol and 3-(2-furoyl)hexanal, were identified as byproducts of a model reaction of ascorbic acid and (E)-hex-2-enal. Each of these compounds was dissolved in an aqueous solution of citric acid and stored at 60 °C for 1 week. After storage, 6-propylbenzofuran-7-ol was detected from a solution of 2,3-dihydro-6-propylbenzofuran-3,7-diol, but not from 3-(2-furoyl)hexanal. 6-Propylbenzofuran-7-ol was formed by isolating tricyclic hemiacetal lactone derived from the Michael addition of ascorbic acid to (E)-hex-2-enal, mixing the tricyclic hemiacetal lactone with the aqueous solution of citric acid, and applying heat. This confirmed that 6-propylbenzofuran-7-ol was formed via the Michael adduct.

ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE GLUCOCORTICOID STEROIDS

The present invention relates to new glucocorticoid steroid modulators of glucocorticoid receptor, pharmaceutical compositions thereof, and methods of use thereof.

Synthesis of the individual diastereomers of the cysteine conjugate of 3-mercaptohexanol (3-MH)

The individual diastereoisomers of the cysteine conjugate of 3-mercaptohexanol (4) were synthesized with high isomeric purity (>98%). On treatment with Apotryptophanase enzyme, the 3R diastereoisomer of 4 gave an 82% yield of the R enantiomer of 1, with no trace of the 3S enantiomer present. Conversely, the 3S diastereoisomer of 4 gave the 3S enantiomer of 1 (43%) accompanied by a trace of the 3R form (S/R = 98.5:1.5), reflecting the diastereomeric purity of the cysteine conjugate. The same stereochemical outcome was observed when the individual diastereoisomers of 4 were added to fermentations with the Saccharomyces cerevisiae AWRI 1655 yeast strain, which gave 1 in 1% yield. A d10-analogue of 1 was synthesized and used as an internal standard to determine, by gas chromatography-mass spectrometry (GC-MS), the amounts of 1 formed in these transformations.