Decyl 2-nitrobenzoate

Base Information

• Chemical Name: Decyl 2-nitrobenzoate
• CAS No.: 6500-28-3
• Molecular Formula: C17H25 N O4
• Molecular Weight: 307.39
• Hs Code.: 2916399090
• European Community (EC) Number: 229-381-3
• UNII: 3D5HT67AM4
• DSSTox Substance ID: DTXSID00215319
• Nikkaji Number: J225.155H
• Wikidata: Q83091332
• Mol file: 6500-28-3.mol

Synonyms:Decyl 2-nitrobenzoate;6500-28-3;EINECS 229-381-3;starbld0028636;3D5HT67AM4;2-Nitrobenzoic acid decyl ester;DTXSID00215319;Benzoic acid, o-nitro-, decyl ester;Benzoic acid, 2-nitro-, decyl ester

Chemical Property of Decyl 2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 402.1°C at 760 mmHg
• Flash Point: 142.6°C
• PSA: 72.12000
• Density: 1.068g/cm³
• LogP: 5.41550
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 307.17835828
• Heavy Atom Count: 22
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Decyl 2-nitrobenzoate

There total 2 articles about Decyl 2-nitrobenzoate 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: 75.0%

1-Decanol (112-30-1) + ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 1-decyl 2-nitrobenzoate (6500-28-3)

Guidance literature:

With polystyrene-supported (2-hydroxybenzyl)diphenylphosphine oxide; In toluene; for 72h; Reflux; Dean-Stark;

DOI:10.1039/d1gc02819g

Reference yield:

→ 1-decyl 2-nitrobenzoate (6500-28-3)

Guidance literature:

Saeure Ia, Alkohol IV;

upstream raw materials:

1-Decanol

ortho-nitrobenzoic acid

Refernces