Decyl 3,5-dinitrobenzoate

Base Information

• Chemical Name: Decyl 3,5-dinitrobenzoate
• CAS No.: 10574-44-4
• Molecular Formula: C17H24N2O6
• Molecular Weight: 352.387
• DSSTox Substance ID: DTXSID60335946
• Wikidata: Q82102666
• Mol file: 10574-44-4.mol

Synonyms:Benzoic acid, 3,5-dinitro-, decyl ester;decyl 3,5-dinitrobenzoate;10574-44-4;SCHEMBL9678328;DTXSID60335946

Chemical Property of Decyl 3,5-dinitrobenzoate

Chemical Property:

• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 352.16343649
• Heavy Atom Count: 25
• Complexity: 410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Decyl 3,5-dinitrobenzoate

There total 3 articles about Decyl 3,5-dinitrobenzoate 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-Decanol (112-30-1) + 3,5-dinitrobenoyl chloride (99-33-2) → 3,5-dinitro-benzoic acid decyl ester (10574-44-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1246/bcsj.20100041

Reference yield:

1-Decanol (112-30-1) → 3,5-dinitro-benzoic acid decyl ester (10574-44-4)

Guidance literature:

Reference yield:

→ 3,5-dinitro-benzoic acid decyl ester (10574-44-4)

Guidance literature:

/BRN= 1252593/;

upstream raw materials:

1-Decanol

3,5-dinitrobenoyl chloride

Downstream raw materials:

decyl 3,5-diaminobenzoate