95537-93-2

Basic information

• Product Name: ANISALDEHYDE-[7-13C]
• Synonyms: ANISALDEHYDE-[7-13C];4-Anisaldehyde-13C;4-Methoxybenzaldehyde-13C;Anisaldehyde-13C;Anisic Aldehyde-13C;Aubepine-13C;Crategine-13C;NSC 5590-13C
• CAS NO: 95537-93-2
• Molecular Formula: C₈H₈O₂
• Molecular Weight: 136.14792
• Product Categories: Aromatics Compounds;Aromatics;Isotope Labeled Compounds;Isotope Labelled Compounds
• Mol File: 95537-93-2.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• Density: 1.088g/cm3
• Refractive Index: 1.547
• Storage Temp.: -20?C Freezer
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: ANISALDEHYDE-[7-13C](CAS DataBase Reference)
• NIST Chemistry Reference: ANISALDEHYDE-[7-13C](95537-93-2)
• EPA Substance Registry System: ANISALDEHYDE-[7-13C](95537-93-2)

Safety Data

• Hazardous Substances Data: 95537-93-2(Hazardous Substances Data)

Usage

Uses

Used in Perfumery Industry:
ANISALDEHYDE-[7-13C] is used as a fragrance ingredient in the perfumery industry for its distinct aromatic properties. The incorporation of the carbon-13 isotope allows for the study of its behavior and interactions within complex mixtures, providing valuable insights into the fragrance's performance and longevity.
Used in Toilet Soaps Industry:
In the toilet soaps industry, ANISALDEHYDE-[7-13C] is used as a scent enhancer to impart a pleasant and long-lasting aroma to the products. The stable isotope labeling enables researchers to track the compound's distribution and degradation within the soap matrix, potentially leading to the development of more effective and sustainable formulations.

InChI:InChI=1/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3/i6+1

Upstream product

• 1333245-00-3 (¹³C)-4-methoxybenzonitrile 
• 104-92-7 1-bromo-4-methoxy-benzene 
• 3228-27-1 [13C]-formaldehyde 
• 874-90-8 4-methoxybenzonitrile 
• 696-62-8 para-iodoanisole 
• 93627-95-3 methyl 4-methoxy-<7-13C>benzoate 
• 69838-89-7 4-methoxy-<7-13C>benzoic acid 
• 32488-43-0 N,N-dimethylform-¹³C-amide 
• 76104-36-4 4-methoxy-<7-13C>benzyl alcohol 

Downstream Products

• 152404-52-9 4-hydroxy-<7-13C>benzaldehyde 
• 93627-97-5 C₇⁽¹³⁾CH₉BrO 
• 32345-64-5 1-(4-methoxyphenyl) ethane-1,2-diol 
• 648934-25-2 C₁₁⁽¹³⁾CH₁₉O₄P 
• 1229516-39-5 3-(4-methoxyphenyl)-1-[2,4-bis(benzyloxy)phenyl]-2-[1,2,3-⁽¹³⁾C₃]propen-1-one 
• 1229516-40-8 3-(4-methoxyphenyl)-1-[2,4,6-tris(benzyloxy)phenyl]-[1,2,3-⁽¹³⁾C₃]-2-propen-1-one 
• 1229516-27-1 1-(2-acetoxy-4-methoxyphenyl)-3-(4-methoxyphenyl)[1,2,3-⁽¹³⁾C₃]prop-2-en-1-one 
• 1229516-33-9 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)[1,2,3-⁽¹³⁾C₃]prop-2-en-1-one 
• 1229516-34-0 C₁₅⁽¹³⁾C₃H₁₈O₅ 
• 1229516-35-1 3-(4-methoxyphenyl)-1-[2-acetoxy-4,6-dimethoxyphenyl]-2-[1,2,3-⁽¹³⁾C₃]propen-1-one 
• 957199-29-0 [2,3,4-⁽¹³⁾C₃]formononetin 
• 957199-28-9 [2,3,4-⁽¹³⁾C₃]biochanin A 
• 1453504-05-6 (¹³C)-1-(2,2-dibromovinyl)-4-methoxybenzene 
• 1333245-00-3 (¹³C)-4-methoxybenzonitrile 

Relevant articles and documents

Direct Carbon Isotope Exchange of Pharmaceuticals via Reversible Decyanation

The incorporation of carbon-14 allows tracking of organic molecules and provides vital knowledge on their fate. This information is critical in pharmaceutical development, crop science, and human food safety evaluation. Herein, a transition-metal-catalyzed procedure enabling carbon isotope exchange on aromatic nitriles is described. By utilizing the radiolabeled precursor Zn([14C]CN)2, this protocol allows the insertion of the desired carbon tag without the need for structural modifications, in a single step. By reducing synthetic costs and limiting the generation of radioactive waste, this procedure will facilitate the labeling of nitrile containing drugs and accelerate 14C-based ADME studies supporting drug development.

Palladium-catalyzed carbonylations of aryl bromides using paraformaldehyde: Synthesis of aldehydes and esters

Carbonylation reactions represent useful tools for organic synthesis. However, the necessity to use gaseous carbon monoxide is a disadvantage for most organic chemists. To solve this problem, novel protocols have been developed for conducting palladium-catalyzed reductive carbonylations of aryl bromides and alkoxycarbonylations using paraformaldehyde as an external CO source (CO gas free). Hence, aromatic aldehydes and esters were synthesized in moderate to good yields.

Nickel-catalyzed decarbonylative alkylidenation of phthalimides with trimethylsilyl-substituted alkynes

We have developed a nickel-catalyzed transformation, in which phthalimides react with trimethylsilyl-substituted alkynes in the presence of Ni(0)/PMe 3/MAD catalyst to provide isoindolinones. The reaction process displays an unusual mechanistic

A versatile synthesis of [2,3,4-13C3]isoflavones

A flexible synthetic method is presented, which allows all the key isoflavones (daidzein, genistein, glycitein, formononetin and biochanin A) to be prepared in 13C-labelled form via the same route, involving the thallium(III)-mediated oxidative

Kinetic isotope effects in cycloreversion of rhenium (V) diolates

Cycloreversion of 4-methoxystyrene from the corresponding Tp′Re(O)(diolato) complex (Tp′ = hydrido-tris-(3,5-dimethylpyrazolyl)borate) was measured competitively for various isotopomers at 103 °C. Primary (12C/13C) and secondary (1H/2H) kinetic isotope effects were determined. The primary KIEs were k12C/k13C = 1.041 ± 0.005 at the α position and 1.013 ± 0.006 at the β position. Secondary KIEs were kH/kD = 1.076 ± 0.005 at the α position and 1.017 ± 0.005 at the β position. Computational modeling (B3LYP/LACVP*+) located a transition state for concerted cycloreversion of styrene from TpRe(O)(OCH2-CHPh) exhibiting dramatically different C-O bond lengths. A Hammett study on cycloreversions of substituted styrenes from a series of Tp′Re(O)(diolato) showed dichotomous behavior for electron donors and electron-withdrawing groups as substituents: ρ = -0.65 for electron donors, but ρ = +1.13 for electron-withdrawing groups. The data are considered in light of various mechanistic proposals. While the extrusion of 4-methoxystyrene is concluded to be a highly asynchronous concerted reaction, the Hammett study reflects a likelihood that multiple reaction mechanisms are involved.

Studies on the biosynthesis of the antibiotic reductiomycin in Streptomyces xanthochromogenus

The biosynthesis of the antibiotic reductiomycin (1) in Streptomyces xanthochromogenus was investigated by feeding experiments with radioactive and stable isotope-labeled precursors. NMR and mass spectroscopic analyses of the labeled 1 samples revealed th