Bis(4-nitrobenzyl) succinate

Base Information

• Chemical Name: Bis(4-nitrobenzyl) succinate
• CAS No.: 58265-86-4
• Molecular Formula: C18H16N2O8
• Molecular Weight: 388.3282
• NSC Number: 99805
• DSSTox Substance ID: DTXSID30295124
• Wikidata: Q82034855
• Mol file: 58265-86-4.mol

Synonyms:58265-86-4;Bis(4-nitrobenzyl) succinate;NSC99805;Succinic acid bis-(4-nitro-benzyl) ester;Bis(4-nitrobenzyl) succinate #;DTXSID30295124;CTSIAVDIJRBHQL-UHFFFAOYSA-N;NSC-99805;SR-01000321640;SR-01000321640-1

Chemical Property of Bis(4-nitrobenzyl) succinate

Chemical Property:

• Vapor Pressure: 1.83E-12mmHg at 25°C
• Boiling Point: 557.5°Cat760mmHg
• Flash Point: 228.7°C
• Density: 1.388g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 388.09066547
• Heavy Atom Count: 28
• Complexity: 505

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)CCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Bis(4-nitrobenzyl) succinate

There total 4 articles about Bis(4-nitrobenzyl) succinate 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: 70.0%

succinic acid anhydride (108-30-5) + 4-nitrobenzyl chloride (619-73-8) → succinic acid bis-(4-nitro-benzyl ester) (58265-86-4)

Guidance literature:

With C₁₆H₂₅N₃O₂S; In n-heptane; for 48h; Reflux; Molecular sieve;

DOI:10.1021/acscatal.9b01959

Reference yield: 70.0%

→ succinic acid bis-(4-nitro-benzyl ester) (58265-86-4)

Guidance literature:

With C₁₆H₂₅N₃O₂S; In n-heptane; for 48h; Reflux; Molecular sieve;

Reference yield:

4-nitrobenzyl iodide (3145-86-6) → succinic acid bis-(4-nitro-benzyl ester) (58265-86-4)

Guidance literature:

upstream raw materials:

4-nitrobenzyl chloride

succinoyl dichloride

4-nitrobenzyl iodide

succinic acid anhydride