6-Nitropiperonal

Base Information

• Chemical Name: 6-Nitropiperonal
• CAS No.: 712-97-0
• Molecular Formula: C8H5NO5
• Molecular Weight: 195.131
• Hs Code.: 29329990
• European Community (EC) Number: 211-926-1
• NSC Number: 66217,40550
• DSSTox Substance ID: DTXSID50221400
• Nikkaji Number: J14.068F
• Wikidata: Q83099141
• Mol file: 712-97-0.mol

Synonyms:6-nitropiperonal

Chemical Property of 6-Nitropiperonal

Chemical Property:

• Appearance/Colour: yellow powder.
• Vapor Pressure: 1.52E-05mmHg at 25°C
• Melting Point: 93-94 °C
• Refractive Index: 1.658
• Boiling Point: 365.9 °C at 760 mmHg
• Flash Point: 195 °C
• PSA: 81.35000
• Density: 1.572 g/cm³
• LogP: 1.65920
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Sensitive.: Air & Light Sensitive
• Solubility.: DMSO (Slightly), Ethanol (Slightly, Heated)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 195.01677226
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

2-Nitro-4,5-methylenedioxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-]
• Uses: 6-Nitropiperonal was used to study the mechanism of aromatic nucleophilic substitution reaction of [18F]Fluoride ion. It was used in the synthesis of 6-[18F]fluoro-L-dopa.

Technology Process of 6-Nitropiperonal

There total 17 articles about 6-Nitropiperonal 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: 99.0%

piperonal (120-57-0,30024-74-9) → 6-nitro-1,3-benzodioxole-5-carbaldehyde (712-97-0)

Guidance literature:

With nitric acid; In dichloromethane; at -15 ℃; for 6.5h;

DOI:10.1021/jo00350a089

Reference yield: 52.0%

(6-nitro-1,3-benzodioxol-5-yl)methylene diacetate (500284-46-8) → 6-nitro-1,3-benzodioxole-5-carbaldehyde (712-97-0)

Guidance literature:

With sulfuric acid; In ethanol; water; for 10h; Reflux;

DOI:10.1016/j.tet.2010.07.048

Reference yield: 50.0%

(E)-4,5-dihydroxy-2,β-dinitrostyrene (96806-57-4) → 6-nitro-1,3-benzodioxole-5-carbaldehyde (712-97-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; for 0.75h; under 2585.7 Torr;

upstream raw materials:

piperonal

(E)-4,5-dihydroxy-2,β-dinitrostyrene

piperic acid

nitric acid

Downstream raw materials:

4-((Z)-6-nitro-benzo[1,3]dioxol-5-ylmethylene)-2-phenyl-4H-oxazol-5-one

4',5'-methylenedioxy-2'-nitro-cis-stilbene-α-carboxylic acid

cis-α-Phenyl-2-nitro-4,5-methylendioxy-cinnamylsaeure

2-cyano-3ξ-(6-nitro-benzo[1,3]dioxol-5-yl)-acrylic acid anilide

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