1,3-Dimethylimidazolium dimethyl phosphate - ≥98% , CAS No.654058-04-5

CAS: 654058-04-5 Cat. No.: D120486 Molecular Weight: 222.18 EC Number: 629-167-3

GRADE & PURITY ≥98%

Synonyms

1-methyl-3-methylimidazolium dimethylphosphate | DTXSID3047970 | 1,3-dimethylimidazolium dimethylphosphate | SCHEMBL412652 | D90161 | NCGC00248986-01 | AMY41243 | D3240 | NCGC00258652-01 | 1,3-dimethylimidazol-1-ium;dimethyl phosphate | C7H15N2O4P | 1,3-D

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Product Describtion:
1,3-Dimethylimidazolium dimethyl phosphate is an imidazolium-based phosphoric ionic liquid that can be prepared by reacting 1-methylimidazole with trimethyl phosphate. The pretreatment of sugarcane bagasse with [MMIM][DMP] yields glucose and xylose via enzymatic saccharification.

Product Application：   
1,3-Dimethylimidazolium dimethyl phosphate ([MMIM][DMP]) can be used as a catalyst and a solvent for the preparation of ethyl 2-cyano-3-phenylpropenoate from benzaldehyde and ethyl cyanoacetate via Knoevenagel condensation. It can also be used to produce bioethanol from sugarcane bagasse by enzymatic hydrolysis.

Specifications

Synonyms

1-methyl-3-methylimidazolium dimethylphosphate | DTXSID3047970 | 1, 3-dimethylimidazolium dimethylphosphate | SCHEMBL412652 | D90161 | NCGC00248986-01 | AMY41243 | D3240 | NCGC00258652-01 | 1, 3-dimethylimidazol-1-ium;dimethyl phosphate | C7H15N2O4P | 1, 3-D

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN1C=C[N+](=C1)C.COP(=O)([O-])OC
• IUPAC Name: 1,3-dimethylimidazol-1-ium;dimethyl phosphate
• InChIKey: GSGLHYXFTXGIAQ-UHFFFAOYSA-M
• INCHI: 1S/C5H9N2.C2H7O4P/c1-6-3-4-7(2)5-6;1-5-7(3,4)6-2/h3-5H,1-2H3;1-2H3,(H,3,4)/q+1;/p-1
• Isomeric SMILES: CN1C=C[N+](=C1)C.COP(=O)([O-])OC
• WGK Germany: 3
• Molecular Weight: 222.18
• Reaxy-Rn: 9951479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9951479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Dialkyl phosphate - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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: Insoluble in water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.4840 to 1.4920
• Molecular Weight: 222.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.077 Da
• Monoisotopic Mass: 222.077 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 129.000
• 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: 2

XLogP3

References

1. Junxi Lei, Limin Deng, Zongda Chen, Xiang Li, Kaixin Li, Jong-Min Lee.  (2024)  Efficient in situ saccharification of microcrystalline cellulose over immobilized cellulase on magnetic biochar in ionic liquid media.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149990]

2. Shuang Qiu, Jingfan Zhang, Xin Hu, Jun Sun, Xiaoyu Gu, Haiqiao Wang, Bin Fei, Sheng Zhang.  (2025)  Constructing functionalized eco-friendly boron nitride and diatomaceous earth based phase change composite backsheets for thermal management and fire safety of solar modules.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA02193F]