Dinosam

Base Information

• Chemical Name: Dinosam
• CAS No.: 4097-36-3
• Molecular Formula: C11H14 N2 O5
• Molecular Weight: 254.243
• Hs Code.: 2908999023
• European Community (EC) Number: 620-422-4
• NSC Number: 21493
• UNII: J04VBD97F1
• DSSTox Substance ID: DTXSID2041882
• Nikkaji Number: J8.680K
• Wikidata: Q27280984
• Mol file: 4097-36-3.mol

Synonyms:dinitroaminophenol;dinitroaminophenol, sodium salt;dinitroaminophenyl group;dinosam;DNAP

Chemical Property of Dinosam

Chemical Property:

• Vapor Pressure: 7.15E-05mmHg at 25°C
• Boiling Point: 333.2°Cat760mmHg
• PKA: 4.00±0.50(Predicted)
• Flash Point: 136.5°C
• PSA: 111.87000
• Density: 1.306g/cm³
• LogP: 4.15860
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 254.09027155
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 23/24/25-50/53
• Safety Statements: 13-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dinosam

There total 5 articles about Dinosam 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: 40.0%

methylbutylphenol (87-26-3) → 2-sec-amyl-4,6-dinitrophenol (4097-36-3)

Guidance literature:

With methanesulfonic acid; nitric acid; at 45 ℃; for 4h;

Reference yield:

2-(2-Methoxy-phenyl)-pentanol-(2) (91763-96-1) → 2-sec-amyl-4,6-dinitrophenol (4097-36-3)

Guidance literature:

Multi-step reaction with 4 steps

1: (dehydration)

2: (hydrogenation)

3: aq. HI, PhOH

4: (nitration)

With hydrogen iodide; phenol;

DOI:10.1139/v64-067

Reference yield:

2-<2-Methoxyphenyl>-pentan (4125-49-9) → 2-sec-amyl-4,6-dinitrophenol (4097-36-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HI, PhOH

2: (nitration)

With hydrogen iodide; phenol;

DOI:10.1139/v64-067

upstream raw materials:

methylbutylphenol

2-(2-Methoxy-phenyl)-pentanol-⁽²⁾

2-<2-Methoxyphenyl>-pentan

2-(2-Methoxyphenyl)-penten-⁽²⁾

Refernces

• 1、 -. "Process of improving activity of herbicides and fertilizers using N-(2-hydroxyethyl)-acetamide or -propanamide". . . Retrieved 2008/06/13.