Aminoacetaldehyde dimethyl acetal - ≥98% , CAS No.22483-09-6

CAS: 22483-09-6 Cat. No.: A107137 Molecular Weight: 105.14 Beilstein Registry Number: 741868 EC Number: 245-026-5

GRADE & PURITY ≥98%

Synonyms

A0801 | STR00343 | XF4JYB7VV5 | 2,2-bis(methyloxy)ethanamine | 2,2-Dimethoxyethylamine | 2,2-dimethoxy-ethylamine | D72504 | amino acetaldehyde dimethyl acetal | FT-0622278 | aminoacetoaldehyde dimethylacetal | EN300-19623 | NSC73701 | NSC-73701 | 2,2-Dim

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Aminoacetaldehyde dimethyl acetal reacts with sulfone, followed by hydrolysis and reductive amination by adding desired piperazine derivative to yield piperazine derivatives of 2-furanyl[1,2,4]triazolo[1,5-a][1,3,5]triazine.
Aminoacetaldehyde dimethyl acetal was used in a study to develop a fluorescent substrate for aldehyde dehydrogenase.It was used in preparation of chitosan-dendrimer hybrids having various functional groups such as carboxyl, ester and poly(ethylene glycol). It was used in an efficient 3-step synthesis of a bicyclic proline analog from L-ascorbic acid and in 3-component reaction catalyzed by MgClO4 leading to α-aminophosphonates.

Specifications

Synonyms

A0801 | STR00343 | XF4JYB7VV5 | 2, 2-bis(methyloxy)ethanamine | 2, 2-Dimethoxyethylamine | 2, 2-dimethoxy-ethylamine | D72504 | amino acetaldehyde dimethyl acetal | FT-0622278 | aminoacetoaldehyde dimethylacetal | EN300-19623 | NSC73701 | NSC-73701 | 2, 2-Dim

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186564
• Canonical Smiles: COC(CN)OC
• IUPAC Name: 2,2-dimethoxyethanamine
• InChIKey: QKWWDTYDYOFRJL-UHFFFAOYSA-N
• INCHI: 1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
• Isomeric SMILES: COC(CN)OC
• WGK Germany: 2
• UN Number: 1993
• Molecular Weight: 105.14
• Beilstein: 741868
• Reaxy-Rn: 741868
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741868&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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 in water. Soluble in chloroform, methanol.
• Sensitivity: Heat sensitive，Moisture sensitive
• Refractive Index: 1.4150 to 1.4180
• Flash Point(°F): 111.2 °F
• Flash Point(°C): 44℃
• Boil Point(°C): 136°C
• Molecular Weight: 105.140 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 105.079 Da
• Monoisotopic Mass: 105.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 36.700
• 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. Guangxuan Yang, Jian Liu, Yi Zhang, Jinfeng Yuan, Mingwang Pan, Zhicheng Pan.  (2023)  A Multifunctional Antibacterial Hydrogel with Injectable, Antifouling, and Conductive Properties.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00577]

2. Yue Wang, Ziyi Pan, Jing Cui, Xu Zhang, Daowei Li, Hongchen Sun, Bai Yang, Yunfeng Li.  (2024)  Adhesive hydrogel releases protocatechualdehyde-Fe3+ complex to promote three healing stages for accelerated therapy of oral ulcers.  Acta Biomaterialia,      [PMID:38452962] [10.1016/j.actbio.2024.02.047]

3. Yue Wang, Yixiong Duan, Bai Yang, Yunfeng Li.  (2024)  Nanocomposite Hydrogel Bioinks for 3D Bioprinting of Tumor Models.  BIOMACROMOLECULES,      [PMID:39083715] [10.1021/acs.biomac.4c00671]