Glycerol-1,3-13C2

Base Information

• Chemical Name: Glycerol-1,3-13C2
• CAS No.: 102088-01-7
• Molecular Formula: C3H8O3
• Molecular Weight: 94.0727
• European Community (EC) Number: 686-041-0
• DSSTox Substance ID: DTXSID90481900
• Nikkaji Number: J868.000K
• Wikidata: Q82317585
• Mol file: 102088-01-7.mol

Synonyms:Glycerol-1,3-13C2;102088-01-7;Glycerol-13C2;(1,3-13C2)propane-1,2,3-triol;DTXSID90481900;HY-B1659S4;AKOS015913066;Glycerol-1,3-13C2, 99 atom % 13C;CS-0514210;J-000623

Chemical Property of Glycerol-1,3-13C2

Chemical Property:

• Melting Point: 20 °C(lit.)
• Refractive Index: n20/D 1.474(lit.)
• Boiling Point: 182 °C(lit.)
• Flash Point: 320 °F(lit.)
• PSA: 60.69000
• Density: 1.288 g/mL at 25 °C
• LogP: -1.66810
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 94.05405378
• Heavy Atom Count: 6
• Complexity: 25.2

Purity/Quality:

95% ^*data from raw suppliers

Glycerol-1,3-13C2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)O)O
• Isomeric SMILES: [13CH2](C([13CH2]O)O)O
• Uses: Labelled Glycerol (G598400). Glycerol is used both in sample preparation and gel formation for polyacrylamide gel electrophoresis. Glycerol (5-10%) increases the density of a sample so that the sample will layer at the bottom of a gel’s sample well. Glycerol is also used to aid in casting gradient gels and as a protein stabilizer and storage buffer component.

Technology Process of Glycerol-1,3-13C2

There total 2 articles about Glycerol-1,3-13C2 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:

<1,3-13C2>Malonsaeure-diethylester (77386-82-4) → 1,3-13C2-glycerol (102088-01-7)

Guidance literature:

With lead(IV) acetate; lithium aluminium tetrahydride; Yield given. Multistep reaction;

DOI:10.1021/ja00405a044

Reference yield:

Diethyl<1,3-(13)C2>-2-acetoxymalonat → 1,3-13C2-glycerol (102088-01-7)

Guidance literature:

With reducing agent;

Reference yield:

1,3-13C2-glycerol (102088-01-7) → formic acid (64-18-6) + (13C)-formic acid (1633-56-3) + 2-13C-glycolic acid (81277-97-6)

Guidance literature:

With C₁₃H₁₆ClN₃O₂Pd; dihydrogen peroxide; at 60 ℃; for 6h;

DOI:10.1016/j.tetlet.2013.06.041

upstream raw materials:

<1,3-¹³C₂>Malonsaeure-diethylester

Downstream raw materials:

rac-1,2-di-O-stearoyl-3-O-tritylglycerol-2,1',1-13C3

rac-1,2-di-O-stearoyl-3-O-tritylglycerol-1,3,1',1-13C4

rac-3-O-tritylglycerol-2-13C

rac-3-O-tritylglycerol-1,3-13C₂