Ethylene glycol-(OD)2

Base Information

• Chemical Name: Ethylene glycol-(OD)2
• CAS No.: 2219-52-5
• Molecular Formula: C2H4D2O2
• Molecular Weight: 64.0526
• European Community (EC) Number: 689-491-6
• DSSTox Substance ID: DTXSID20450700
• Nikkaji Number: J819.938H
• Wikidata: Q82270502
• Mol file: 2219-52-5.mol

Synonyms:Ethylene glycol-(OD)2;2219-52-5;1,2-dideuteriooxyethane;ethylene glycol2;Ethylene glycol-d2;1,2-Ethanediol-d2(9ci);HY-Y0338S;DTXSID20450700;LYCAIKOWRPUZTN-NMQOAUCRSA-N;MFCD00075277;AKOS015913399;CS-0226299;D98232;J-014581;Ethylene glycol-(OD)2, 98 atom % D, 99% (CP)

Chemical Property of Ethylene glycol-(OD)2

Chemical Property:

• Vapor Pressure: 0.096mmHg at 25°C
• Melting Point: -13 °C at 760 mmHg
• Refractive Index: n20/D 1.429(lit.)
• Boiling Point: 197.539 °C at 760 mmHg
• Flash Point: 108.171 °C
• PSA: 40.46000
• Density: 1.133 g/cm³
• LogP: -1.02900
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 64.049332922
• Heavy Atom Count: 4
• Complexity: 6

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethylene glycol-(OD)2 98 atom % D, 99% (CP) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)O
• Isomeric SMILES: [2H]OCCO[2H]
• Uses: Ethylene Glycol-(OD)2 (CAS# 2219-52-5) is a useful isotopically labeled research compound.

Technology Process of Ethylene glycol-(OD)2

There total 2 articles about Ethylene glycol-(OD)2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

diethyl ether (60-29-7,927820-24-4) → ethylene glycol-d2 (2219-52-5) + deuteroacetic acid (758-12-3) + (O-2H2)-glycolic acid (81278-02-6)

Guidance literature:

With potassium tetrachloroplatinate; In water-d2; at 110 ℃; for 48h; Product distribution; Mechanism; other ethers, alcohols, acids, esters, and alkanes; other platinum or palladium compounds, oxidants; var. temperature, pressure, and reaction time; catalytic and stoichiometric functionalization of organic compounds;

Reference yield:

ethane (74-84-0) → ethylene glycol-d2 (2219-52-5) + ethyl [2]alcohol (925-93-9) + deuteroacetic acid (758-12-3) + (O-2H2)-glycolic acid (81278-02-6)

Guidance literature:

With potassium tetrachloroplatinate; water-d2; oxygen; platinum; at 108 ℃; for 19h; under 25857.4 Torr; Product distribution; Mechanism; var. temperatures and reaction time;

DOI:10.1039/c39920000508

Reference yield: 19.0%

ethylene glycol-d2 (2219-52-5) + 1-(2-methoxyphenyl)propan-2-one (5211-62-1) + ethylene glycol (107-21-1) + phenethylamine (64-04-0) → 1-phenethyl-2,3-diphenyl-1H-pyrrole (1448154-49-1)

Guidance literature:

With [RhCl₂(p-cymene)]2; potassium tert-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 130 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja406666r

upstream raw materials:

diethyl ether

ethane

Downstream raw materials:

perdeuteroammonium trichloro(1,2-dioxoethane-O,O')tellurate(IV)

1-phenethyl-2,3-diphenyl-1H-pyrrole

ethanol

ethene

Refernces

• 1、 Sen, Ayusman,Lin, Minren. "A Novel Hybrid System for the Direct Oxidation of Ethane to Acetic and Glycolic Acids in Aqueous Medium". . p. 508 - 510. Retrieved 2007/10/02.