1,3,5-Trimethoxy-2,4-dinitrobenzene

Base Information

• Chemical Name: 1,3,5-Trimethoxy-2,4-dinitrobenzene
• CAS No.: 18523-15-4
• Molecular Formula: C9H10 N2 O7
• Molecular Weight: 258.18
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20379301
• Wikidata: Q82169039
• Mol file: 18523-15-4.mol

Synonyms:1,3,5-trimethoxy-2,4-dinitrobenzene;18523-15-4;Benzene,1,3,5-trimethoxy-2,4-dinitro-;Maybridge1_001758;SCHEMBL9694935;HMS546H20;DTXSID20379301;JVAQWTFPCVVELG-UHFFFAOYSA-N;AKOS015911992;2,4-Dinitro-1,3,5-trimethoxybenzene;FT-0606515

Chemical Property of 1,3,5-Trimethoxy-2,4-dinitrobenzene

Chemical Property:

• Vapor Pressure: 1.23E-07mmHg at 25°C
• Boiling Point: 443.3°Cat760mmHg
• Flash Point: 213.9°C
• PSA: 119.33000
• Density: 1.394g/cm³
• LogP: 2.57520
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 258.04880066
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

1,3,5-TRIMETHOXY-2,4-DINITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1[N+](=O)[O-])OC)[N+](=O)[O-])OC

Technology Process of 1,3,5-Trimethoxy-2,4-dinitrobenzene

There total 15 articles about 1,3,5-Trimethoxy-2,4-dinitrobenzene 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-(2,4,6-trimethoxyphenyl)ethanone (832-58-6) → 1,3,5-trimethoxy-2-nitrobenzene (14227-18-0) + 1,3,5-trimethoxy-2,4-dinitro-benzene (18523-15-4)

Guidance literature:

With trifluoromethylsulfonic anhydride; tetramethylammonium nitrate; In dichloromethane; at -78 - 20 ℃; for 50h;

DOI:10.1021/jo026202q

Reference yield:

1,3,5-trichloro-2,4-dinitrobenzene (6284-83-9) + sodium methylate (124-41-4) → 1,3,5-trimethoxy-2,4-dinitro-benzene (18523-15-4) + 3-chloro-1,5-dimethoxy-2,4-dinitro-benzene (860556-89-4)

Guidance literature:

With methanol; benzene;

Reference yield:

3,5-dinitroanisole (5327-44-6) → 1,3,5-trimethoxy-2,4-dinitro-benzene (18523-15-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃+H₂SO₄

With sulfuric acid; nitric acid;

upstream raw materials:

1,3,5-trichloro-2,4-dinitrobenzene

sodium methylate

1,3,5-trimethoxy-2-nitrobenzene

2,4,6-tribromo-1,3-dinitrobenzene

Downstream raw materials:

2-amino-4-nitro-1,3,5-trimethoxybenzene

Refernces