N,N-Dimethylacetamide Dimethyl Acetal - ≥90%, stabilized with 5-10% Methanol , CAS No.18871-66-4

CAS: 18871-66-4 Cat. No.: N129103 Molecular Weight: 133.19 Beilstein Registry Number: 1420865 EC Number: 242-641-0

GRADE & PURITY ≥90%, stabilized with 5-10% Methanol

Synonyms

(2Z)-but-2-enoic acid | W-107751 | D77636 | N,N-dimethyl-1,1-bis(methyloxy)ethanamine | N-(1,1-Dimethoxyethyl)dimethylamine | 1,I-dimethoxy-N,N-dimethyl-ethanamine | 2-propenoic acid, 3-chloro-, (2Z)- | n,n-dimethylacetamide-dimethylacetal | Methyl palmit

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Claisen type reaction of N,N-dimethylacetamide dimethyl acetal using optically active trans-3-penten-2-ol as substrate has been investigated

Specifications

Synonyms

(2Z)-but-2-enoic acid | W-107751 | D77636 | N, N-dimethyl-1, 1-bis(methyloxy)ethanamine | N-(1, 1-Dimethoxyethyl)dimethylamine | 1, I-dimethoxy-N, N-dimethyl-ethanamine | 2-propenoic acid, 3-chloro-, (2Z)- | n, n-dimethylacetamide-dimethylacetal | Methyl palmit

Specifications & Purity

≥90%, stabilized with 5-10% Methanol

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504755905
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755905
• Canonical Smiles: CC(N(C)C)(OC)OC
• IUPAC Name: 1,1-dimethoxy-N,N-dimethylethanamine
• InChIKey: FBZVZUSVGKOWHG-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
• Isomeric SMILES: CC(N(C)C)(OC)OC
• WGK Germany: 3
• UN Number: 1993
• Packing Group: II
• Molecular Weight: 133.19
• Beilstein: 1420865
• Reaxy-Rn: 1420865
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1420865&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid amide acetals

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Orthocarboxylic acid derivatives
• Subclass: Carboxylic acid amide acetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid amide acetals
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amide acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid amide acetals. These are carboxylic acid derivatives two hydroxyl groups attached to a carbon atom, which in turn is linked to a nitrogen atom(substituted or not).
• 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: Hydrolyzes in water.
• Sensitivity: light sensitive，Moisture sensitive
• Refractive Index: 1.411
• Flash Point(°F): 46.4 °F
• Flash Point(°C): 8°C
• Boil Point(°C): 118°C
• Molecular Weight: 133.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.100
• 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. Su Liu, Mingqiang Tang, Jun Pang, Jintao Hu, Weijie Chen, Jie Cheng, Zewei Liu, Haihong Zhao, Rong Tan.  (2022)  CO2-Switchable Single-Chain Polymeric Nanoparticles Enable Gas-Controllable Reaction Separation for Asymmetric Catalysis in Water.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c02045]

2. Qi Wu, Yan Xu.  (2021)  Behavior of CO2 stimulus-responsive amidine naphthenate surfactant: A novel concept for the emulsification.  JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING,      [PMID:] [10.1016/j.petrol.2021.108985]

3. Qingfeng Hou, Yuanyuan Wang, Zhe Wang, Qi Wu, Fan Wang, Chen Ni, Xiaobo Zheng, Yan Xu, Yujun Zhao.  (2019)  Temperature sensitivity of CO2-triggered switchable surfactants with acetamidine group.  JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING,      [PMID:] [10.1016/j.petrol.2019.106677]

4. Rui Xiong, Meiling Chen, Xin Cui, Qi Wang, Xiaowang Liu, Baoyou Geng.  (2019)  Simultaneous and Reversible Triggering of the Phase Transfer and Luminescence Change of Amidine-Modified Carbon Dots by CO2.  ACS Applied Materials & Interfaces,      [PMID:31198041] [10.1021/acsami.9b05421]

5. Tao Zhou, Zhijian Mai, Zhiwen Zeng, Yancong Feng, Guofu Zhou, Yao Wang, Laurens T. de Haan.  (2024)  Incorporating amidine groups into photonic cholesteric polymer networks for food quality sensing.  Journal of Materials Chemistry C,  12  (39): (16174-16183).  [PMID:] [10.1039/D4TC03021D]