(1,1,2,2-2H4)Ethane-1,2-(2H2)diol

Base Information

• Chemical Name: (1,1,2,2-2H4)Ethane-1,2-(2H2)diol
• CAS No.: 15054-86-1
• Molecular Formula: C2D6O2
• Molecular Weight: 68.0208
• Hs Code.: 28459000
• European Community (EC) Number: 239-122-6
• DSSTox Substance ID: DTXSID00164570
• Nikkaji Number: J247.669J
• Wikidata: Q83033633
• Mol file: 15054-86-1.mol

Synonyms:15054-86-1;Ethylene glycol-d6;(1,1,2,2-2H4)Ethane-1,2-(2H2)diol;1,1,2,2-tetradeuterio-1,2-dideuteriooxyethane;EINECS 239-122-6;1,2-Ethane-1,1,2,2-d4-diol-d2 (9CI);1,2-Ethane-1,1,2,2-d4-diol-d2;[1,1,2,2-2H4]ethane-1,2-[2H2]diol;Ethylene glycol D6;Ethylen-d4 glycol-d2;Ethylene glycol (D6);Ethylene-d4 glycol-d2;C2D6O2;(?H?)ethane-1,2-di(?H)ol;DTXSID00164570;HY-Y0338S3;C2-D6-O2;CS-CX-00467;Ethylene glycol-d6, 98 atom % D;MFCD00078666;AKOS015915534;CS-0567930;D98576;J-008717

Chemical Property of (1,1,2,2-2H4)Ethane-1,2-(2H2)diol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.08 mm Hg ( 20 °C)
• Melting Point: −13 °C(lit.)
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 196-198 °C(lit.)
• Flash Point: >230 °F
• PSA: 40.46000
• Density: 1.113 g/mL at 25 °C(lit.)
• LogP: -1.02900
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water, methanol, DMSO
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 68.074439906
• Heavy Atom Count: 4
• Complexity: 6

Purity/Quality:

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

Ethylene glycol-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CO)O
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])O[2H])O[2H]
• Uses: Ethylene glycol-d6 may be used as starting material for the synthesis of oxiran-d4.

Technology Process of (1,1,2,2-2H4)Ethane-1,2-(2H2)diol

There total 1 articles about (1,1,2,2-2H4)Ethane-1,2-(2H2)diol 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:

ethylene glycol (107-21-1) → ethylene glycol-d6 (15054-86-1)

Guidance literature:

With d8-isopropanol; carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)-amino]ruthenium(II); potassium carbonate; In isopropyl alcohol; at 140 ℃; for 3h; Glovebox;

DOI:10.1021/cs501133m

Reference yield: 81.0%

ethylene glycol-d6 (15054-86-1) + para-methylbenzylamine (104-84-7) → 3,3-D2-1,2-bis(4-methylbenzyl)diaziridine

Guidance literature:

ethylene glycol-d₆; para-methylbenzylamine; With rose bengal; In dichloromethane; for 0.0833333h; Irradiation; Cooling with ice;

With [bis(acetoxy)iodo]benzene; In dichloromethane; at 20 ℃; for 0.333333h; Irradiation;

DOI:10.1021/acs.orglett.7b02844

Reference yield: 76.0%

ethylene glycol-d6 (15054-86-1) + p-toluenesulfonyl chloride (98-59-9) → [2H4]1,2-ethanediol-1,2-bis(p-toluenesulphonate) (164936-35-0)

Guidance literature:

With pyridine; cooling;

DOI:10.1021/jm030477w

upstream raw materials:

ethylene glycol

Downstream raw materials:

[²H₄]1,2-ethanediol-1,2-bis(p-toluenesulphonate)

d4-4-tert-butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide

d7-4-tert-butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide

Refernces