1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-

Base Information

• Chemical Name: 1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-
• CAS No.: 61440-93-5
• Molecular Formula: C₁₅H₁₀O₄
• Molecular Weight: 254.242
• DSSTox Substance ID: DTXSID90487068
• Wikidata: Q82328934

Synonyms:61440-93-5;1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-;DTXSID90487068

Chemical Property of 1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 254.05790880
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)C3=CC=CC=C3C=O

Technology Process of 1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)-

There total 2 articles about 1,3-Benzodioxole-5-carboxaldehyde, 6-(2-formylphenyl)- 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%

6-chloropiperonal (15952-61-1) + 2-formylbenzene boronic acid (40138-16-7) → 6-(2-formylphenyl)benzo[d][1,3]dioxole-5-carbaldehyde (61440-93-5)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium fluoride dihydrate; tri tert-butylphosphoniumtetrafluoroborate; In tetrahydrofuran; Inert atmosphere;

DOI:10.1002/anie.201201374

Reference yield:

→ 6-(2-formylphenyl)benzo[d][1,3]dioxole-5-carbaldehyde (61440-93-5)

Guidance literature:

VII, VIII, Ggw. v. Cu-Bronze;

DOI:10.1248/cpb.24.2191

Reference yield:

6-(2-formylphenyl)benzo[d][1,3]dioxole-5-carbaldehyde (61440-93-5) + toluene-4-sulfonic acid hydrazide (1576-35-8) → C29H26N4O6S2 (1392144-21-6)

Guidance literature:

In methanol; at 60 ℃; for 0.166667h;

DOI:10.1002/anie.201201374

upstream raw materials:

6-chloropiperonal

2-formylbenzene boronic acid

Downstream raw materials:

C₂₉H₂₆N₄O₆S₂

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