Glycerol-2-13C

Base Information

• Chemical Name: Glycerol-2-13C
• CAS No.: 82425-96-5
• Molecular Formula: C3H8 O3
• Molecular Weight: 93.0837
• DSSTox Substance ID: DTXSID20436367
• Nikkaji Number: J893.921G
• Wikidata: Q82251638
• Mol file: 82425-96-5.mol

Synonyms:Glycerol-2-13C;82425-96-5;(213C)propane-1,2,3-triol;GLYCEROL (2-13C);[2-13C]glycerol;DTXSID20436367;HY-B1659S2;AKOS015913353;Glycerol-2-13C, 99 atom % 13C;CS-0459751;Glycerol-2-13C, S & P tested, 98 atom % 13C

Chemical Property of Glycerol-2-13C

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: 1.275 g/mL at 25 °C
• LogP: -1.66810
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol, Water
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 93.050698948
• Heavy Atom Count: 6
• Complexity: 25.2

Purity/Quality:

Glycerol-2-13C ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(CO)O)O
• Isomeric SMILES: C([13CH](CO)O)O

Technology Process of Glycerol-2-13C

There total 1 articles about Glycerol-2-13C 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: 82.0%

[2-13C]-DL-glyceraldehyde (71122-43-5) → <2-13C1>Glycerol (82425-96-5)

Guidance literature:

With sodium tetrahydroborate; In water; for 10h;

DOI:10.1021/jo00167a012

Reference yield:

<2-13C1>Glycerol (82425-96-5) → formic acid (64-18-6) + (13C)-formic acid (1633-56-3) + 1-13C-glycolic acid (81277-96-5)

Guidance literature:

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

DOI:10.1016/j.tetlet.2013.06.041

Reference yield:

trityl chloride (76-83-5) + <2-13C1>Glycerol (82425-96-5) + 1,3-13C2-glycerol (102088-01-7) → rac-3-O-tritylglycerol-2-13C (1213780-64-3) + rac-3-O-tritylglycerol-1,3-13C2 (1213780-53-0)

Guidance literature:

trityl chloride; <2-13C₁>Glycerol; 1,3-¹³C₂-glycerol; With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 2.5h;

With methanol; boron trifluoride diethyl etherate; In dichloromethane;

DOI:10.1016/j.chemphyslip.2009.08.001

upstream raw materials:

[2-13C]-DL-glyceraldehyde

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

Refernces