Anisaldehyde dimethyl acetal - ≥97% , CAS No.2186-92-7

CAS: 2186-92-7 Cat. No.: A111315 Molecular Weight: 182.22 Beilstein Registry Number: 2048930 EC Number: 218-577-4

GRADE & PURITY ≥97%

Synonyms

4-Methoxybenzaldehyde dimethyl acetal | p-(Dimethoxymethyl)anisole | Anisaldehyde dimethyl acetal | p-anisaldehyde dimethylacetal | Benzene, 1-(dimethoxymethyl)-4-methoxy- | 1-(Dimethoxymethyl)-4-methoxybenzene | p-Anisaldehyde dimethyl acetal | Anisicald

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Anisaldehyde dimethyl acetal is a clear, colorless to light yellow liquid. The flash point for anisaldehyde dimethyl acetal is 114.0°C. It undergoes allylation reactions with allyltrimethylsilane catalysed by Iron(III) chloride[1]. Anisaldehyde dimethyl acetal undergoes ytterbium-catalyzed tandem carboalkoxylation/Friedel–Crafts reaction with 1-phenylbenzylidenecyclopropane to yield 1-(p-anisyl)-2-(2-methoxyethyl)-3-phenylindene.

Specifications

Synonyms

4-Methoxybenzaldehyde dimethyl acetal | p-(Dimethoxymethyl)anisole | Anisaldehyde dimethyl acetal | p-anisaldehyde dimethylacetal | Benzene, 1-(dimethoxymethyl)-4-methoxy- | 1-(Dimethoxymethyl)-4-methoxybenzene | p-Anisaldehyde dimethyl acetal | Anisicald

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185043
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185043
• Canonical Smiles: COC1=CC=C(C=C1)C(OC)OC
• IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene
• InChIKey: NNHYAHOTXLASEA-UHFFFAOYSA-N
• INCHI: 1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
• Isomeric SMILES: COC1=CC=C(C=C1)C(OC)OC
• WGK Germany: 1
• Molecular Weight: 182.22
• Beilstein: 2048930
• Reaxy-Rn: 2048930
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048930&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with alcohol and many organic solvents. Slightly miscible with water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.505
• Flash Point(°F): 237.2 °F
• Flash Point(°C): 98 °C
• Boil Point(°C): 253°C
• Molecular Weight: 182.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Wei Liu, Yu-Qing Zhang, Zhen-Lin Dong, Zi-Xuan Chen, Lei Li, Xin-Yuan Zhao, Yang Wu, Yu-Yang Zhang.  (2024)  An Efficient Bifunctional Core-Shell ZIF-90@ZIF-67 Composite as a Stable Pickering Interfacial Catalyst for the Deacetalization–Knoevenagel Tandem Reaction.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:39498512] [10.1002/chem.202403363]