6,7-Dinitro-2,3-dihydro-1,4-benzodioxine

Base Information

• Chemical Name: 6,7-Dinitro-2,3-dihydro-1,4-benzodioxine
• CAS No.: 57356-48-6
• Molecular Formula: C₈H₆N₂O₆
• Molecular Weight: 226.145
• DSSTox Substance ID: DTXSID40393943
• Nikkaji Number: J406.145D
• Wikidata: Q82193023
• Mol file: 57356-48-6.mol

Synonyms:57356-48-6;6,7-Dinitro-2,3-dihydro-benzo[1,4]dioxime;6,7-dinitro-2,3-dihydro-1,4-benzodioxine;6,7-dinitro-2,3-dihydrobenzo[1,4]dioxin;SCHEMBL1625765;DTXSID40393943;FLBMBFIUCNKNSC-UHFFFAOYSA-N;AKOS003272433;6,7-Dinitro-2,3-dihydro-1,4-benzodioxin;FT-0667578

Chemical Property of 6,7-Dinitro-2,3-dihydro-1,4-benzodioxine

Chemical Property:

• PSA: 110.10000
• LogP: 2.32060
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 226.02258592
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

98% ^*data from raw suppliers

6,7-Dinitro-2,3-dihydro-benzo[1,4]dioxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-]
• Uses: 6,7-Dinitro-2,3-dihydro-benzo[1,4]dioxime (cas# 57356-48-6) is a compound useful in organic synthesis.

Technology Process of 6,7-Dinitro-2,3-dihydro-1,4-benzodioxine

There total 1 articles about 6,7-Dinitro-2,3-dihydro-1,4-benzodioxine 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: 3.0%

6-nitro-2,3-dihydrobenzo[b][1,4]dioxine (16498-20-7) → 6,7-dinitro-2,3-dihydrobenzo[1,4]dioxine (57356-48-6) + 5,6-dinitro-2,3-dihydrobenzo[b][1,4]dioxine (59820-94-9) + 5,7-dinitro-2,3-dihydro-benzo[1,4]dioxine (59820-95-0)

Guidance literature:

With nitric acid; acetic acid; at 25 ℃; for 0.5h; Title compound not separated from byproducts;

Reference yield: 86.4%

6,7-dinitro-2,3-dihydrobenzo[1,4]dioxine (57356-48-6) → 7-nitro-2,3-dihydro-1,4-benzodioxin-6-amine (62140-78-7)

Guidance literature:

With iron; acetic acid; at 20 ℃; for 2h; Inert atmosphere; Reflux;

Reference yield:

6,7-dinitro-2,3-dihydrobenzo[1,4]dioxine (57356-48-6) → 7-nitro-2,3-dihydro-1,4-benzodioxin-6-amine (62140-78-7)

Guidance literature:

With acetic acid;

upstream raw materials:

6-nitro-2,3-dihydrobenzo[b][1,4]dioxine

Downstream raw materials:

7-nitro-2,3-dihydro-1,4-benzodioxin-6-amine

7-amino-2,3-dihydro-1,4-benzodioxin-6-ylamine

Refernces