Ethylene glycol-13C2

Base Information

• Chemical Name: Ethylene glycol-13C2
• CAS No.: 104700-12-1
• Molecular Formula: C₂H₆O₂
• Molecular Weight: 66.0306
• European Community (EC) Number: 693-273-6
• DSSTox Substance ID: DTXSID40583948
• Wikidata: Q82475563
• Mol file: 104700-12-1.mol

Synonyms:Ethylene glycol-13C2;104700-12-1;1,2-Ethylene Glycol-13C2;(1,2-13C2)ethane-1,2-diol;ETHYLENE GLYCOL (1,2-13C2);DTXSID40583948;HY-Y0338S1;(~13~C_2_)Ethane-1,2-diol;1,2-Ethanediol-1,2-13c2(9ci);Ethylene glycol-13C2, 99 atom % 13C;CS-0541827;J-001231

Chemical Property of Ethylene glycol-13C2

Chemical Property:

• Melting Point: −13 °C(lit.)
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 196-198 °C(lit.)
• Flash Point: 113 °C
• PSA: 40.46000
• Density: 1.185 g/mL at 25 °C
• LogP: -1.02900
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 64.043489101
• Heavy Atom Count: 4
• Complexity: 6

Purity/Quality:

99% ^*data from raw suppliers

1,2-EthyleneGlycol-13C2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)O
• Isomeric SMILES: [13CH2]([13CH2]O)O
• Uses: 1,2-Ethylene Glycol-13C2 can be used to isotopically label cross-linkers and is also suited for use as a polarized nuclear target for intermediate energy hadron + 13C scattering experiments.

Technology Process of Ethylene glycol-13C2

There total 2 articles about Ethylene glycol-13C2 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:

[13C]methanol (14742-26-8) → methane (6532-48-5) + [13C]-formaldehyde (3228-27-1,89277-65-6) + [1,2-13C2]-glycolaldehyde (478529-69-0,478529-67-8) + ketene + (13C)-methyl formate + carbon dioxide (1111-72-4) + [13C]Carbon monoxide (1641-69-6) + ethylene glycol-13C2 (104700-12-1) + 13C-carbon monoxide + (13)CH2OH

Guidance literature:

at -267.66 - 26.84 ℃; Irradiation;

DOI:10.1039/c4cp04149f

Reference yield:

ethylene glycol diacetate-1,2-13C2-1,2-d2 → ethylene glycol-13C2-1,2-d2 (104700-12-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 6h; Yield given; Heating;

DOI:10.1021/ja00050a020

Reference yield: 80.0%

benzyl bromide (100-39-0) + ethylene glycol-13C2 (104700-12-1) → 2-benzyloxyethanol-13C2

Guidance literature:

<13C>ethane-1,2-diol; With potassium hydroxide; at 20 - 30 ℃; for 0.666667h;

benzyl bromide; at 20 - 30 ℃; for 8h;

upstream raw materials:

[¹³C]methanol

Downstream raw materials:

13C-Formaldehyd-d(1)

[1,2-13C2]2-bromoethanol

Refernces

• 1、 Baldwin, John E.,Cianciosi, Steven J.. "Syntheses of racemic and both chiral forms of cyclopropane-1,2-d2 and cyclopropane-1-13C-1,2,3-d3". . p. 9401 - 9408. Retrieved 2007/10/02.