Cas no 945744-16-1 (Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate)

Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate structure
945744-16-1 structure
Product Name:Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate
CAS No:945744-16-1
MF:C7H13ClO4
MW:196.628721952438
CID:5035800
Update Time:2023-09-21

Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate
    • Methyl 2-[2-(2-chloroethoxy)ethoxy]acetate (ACI)
    • Inchi: 1S/C7H13ClO4/c1-10-7(9)6-12-5-4-11-3-2-8/h2-6H2,1H3
    • InChI Key: LXNVRHJKDKWEFB-UHFFFAOYSA-N
    • SMILES: O=C(COCCOCCCl)OC

Computed Properties

  • Exact Mass: 196.0502366 g/mol
  • Monoisotopic Mass: 196.0502366 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 8
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 44.8
  • Molecular Weight: 196.63

Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  30 min, 0 °C
1.2 22.5 h, rt
Reference
Amyloid β binding saccharide thin film and measurement method of amyloid β
, Japan, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Oxalyl chloride ;  30 min, cooled; overnight, rt
Reference
SNAP/CLIP-Tags and Strain-Promoted Azide-Alkyne Cycloaddition (SPAAC)/Inverse Electron Demand Diels-Alder (IEDDA) for Intracellular Orthogonal/Bioorthogonal Labeling
Macias-Contreras, Miguel; He, Huan; Little, Kevin N.; Lee, Justin P.; Campbell, Ryan P.; et al, Bioconjugate Chemistry, 2020, 31(5), 1370-1381

Production Method 3

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: Methanol ;  30 min, 0 °C; 16 h, 0 °C
Reference
Preparation of prenylated antibody-drug conjugates containing branched linkers useful for treating cancer
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: Methanol ;  30 min, 0 °C; 16 h, 0 °C
Reference
Preparation of prenylated antibody-drug conjugates containing peptide groups useful for treating cancer
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Oxalyl chloride Solvents: Methanol ;  30 min, 0 °C; 16 h, 0 °C
Reference
Preparation of prenylated antibody-drug conjugates containing self-immolative groups useful for treating cancer
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  30 min, 0 °C
1.2 22.5 h, rt
Reference
Syntheses of sulfo-glycodendrimers using click chemistry and their biological evaluation
Miura, Yoshiko; Onogi, Shunsuke; Fukuda, Tomohiro, Molecules, 2012, 17, 11877-11896

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  20 min, rt
1.2 24 h, rt
Reference
Sugar balls: synthesis and supramolecular assembly of [60]fullerene
Kato, Haruhito; Boettcher, Christoph; Hirsch, Andreas, European Journal of Organic Chemistry, 2007, (16), 2659-2666

Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate Raw materials

Methyl 2-(2-(2-chloroethoxy)ethoxy)acetate Preparation Products

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