Diethyl oxalate-13C2

Base Information

• Chemical Name: Diethyl oxalate-13C2
• CAS No.: 150992-84-0
• Molecular Formula: C6H10O4
• Molecular Weight: 148.16
• European Community (EC) Number: 694-307-2
• DSSTox Substance ID: DTXSID20584418
• Nikkaji Number: J3.239.369A
• Mol file: 150992-84-0.mol

Synonyms:Diethyl oxalate-13C2;150992-84-0;SCHEMBL1331989;DTXSID20584418;Diethyl (~13~C_2_)ethanedioate;Diethyl oxalate-13C2, 99 atom % 13C;J-008769

Chemical Property of Diethyl oxalate-13C2

Chemical Property:

• Boiling Point: 185 °C(lit.)
• Flash Point: 168 °F
• PSA: 52.60000
• Density: 1.091 g/mL at 25 °C
• LogP: 0.11260
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 148.06461847
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

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

Diethyl Oxalate-13C2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=O)OCC
• Isomeric SMILES: CCO[13C](=O)[13C](=O)OCC
• Uses: Diethyl Oxalate-13C2 is used in the synthesis of novel indole β-diketo acid derivatives as HIV-1 integrase inhibitors.

Technology Process of Diethyl oxalate-13C2

There total 1 articles about Diethyl oxalate-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: 34.2%

ethanol (64-17-5) + oxalic acid-13C2 (62654-02-8) → 1,2-(13)C2-Oxalsaeurediethylester (150992-84-0)

Guidance literature:

In tetrachloromethane; for 24h; Heating;

DOI:10.1002/prac.19933350405

upstream raw materials:

ethanol

oxalic acid-¹³C₂

Refernces