7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Base Information

• Chemical Name: 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
• CAS No.: 57672-33-0
• Molecular Formula: C₉H₇NO₆
• Molecular Weight: 225.158
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50387939
• Wikidata: Q82182558
• Mol file: 57672-33-0.mol

Synonyms:57672-33-0;7-nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid;7-Nitro-1,4-benzodioxane-6-carboxylic Acid;7-Nitro-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid;6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid;MFCD01116988;7-Nitro-2,3-dihydrobenzo-[b][1,4]dioxine-6-carboxylic acid;Oprea1_279422;DTXSID50387939;STK739578;AKOS000646194;CS-W002750;DS-0803;SY014097;AM20061066;FT-0701600;EN300-12568;A869621;Z85922616

Chemical Property of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.27E-07mmHg at 25°C
• Boiling Point: 414.8°C at 760 mmHg
• Flash Point: 204.7°C
• PSA: 101.58000
• Density: 1.577g/cm³
• LogP: 1.58740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.02733694
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

97% ^*data from raw suppliers

7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylicAcid ^*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-])C(=O)O

Technology Process of 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

There total 3 articles about 7-Nitro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid 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:

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (4442-54-0) → 4,5-(ethylenedioxy)-2-nitrobenzoic acid (57672-33-0)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid;

Reference yield:

benzo-1,4-dioxane (493-09-4) → 4,5-(ethylenedioxy)-2-nitrobenzoic acid (57672-33-0)

Guidance literature:

Multi-step reaction with 3 steps

1: acetyl chloride; aluminium chloride; carbon disulfide

2: alkaline aqueous sodium hypochlorite solution

3: acetic acid; sulfuric acid; nitric acid

With carbon disulfide; aluminium trichloride; alkaline aqueous sodium hypochlorite solution; sulfuric acid; nitric acid; acetic acid; acetyl chloride;

Reference yield:

1,4-benzodioxan-6-yl methyl ketone (2879-20-1) → 4,5-(ethylenedioxy)-2-nitrobenzoic acid (57672-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: alkaline aqueous sodium hypochlorite solution

2: acetic acid; sulfuric acid; nitric acid

With alkaline aqueous sodium hypochlorite solution; sulfuric acid; nitric acid; acetic acid;

upstream raw materials:

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid

benzo-1,4-dioxane

1,4-benzodioxan-6-yl methyl ketone

Downstream raw materials:

7-amino-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxylic acid