7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro-

Base Information

• Chemical Name: 7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro-
• CAS No.: 111506-26-4
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.18400
• European Community (EC) Number: 802-370-6
• DSSTox Substance ID: DTXSID60547305
• Wikidata: Q82425441
• Mol file: 111506-26-4.mol

Synonyms:111506-26-4;7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro-;3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole;2,3-dihydro-7h-[1,4]dioxino[2,3-e]indole;4,5-ethylenedioxyindole;SCHEMBL3900178;4,5-Ethylenedioxyindole, 98%;DTXSID60547305;2H,3H,7H-[1,4]DIOXINO[2,3-E]INDOLE

Chemical Property of 7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro-

Chemical Property:

• Melting Point: 146-150°C
• Boiling Point: 354.7±21.0 °C(Predicted)
• PSA: 34.25000
• Density: 1.339±0.06 g/cm3(Predicted)
• LogP: 1.93910
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

4,5-Ethylenedioxyindole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC3=C2C=CN3

Technology Process of 7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro-

There total 2 articles about 7H-1,4-Dioxino[2,3-e]indole, 2,3-dihydro- 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: 46.1%

→ 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole (111506-26-4)

Guidance literature:

Reference yield:

ethylene glycol (107-21-1) + 6-amino-3,4-benzodioxane (22013-33-8) → 2,3-dihydro-6H-[1,4]dioxino[2,3-f ]indole (59820-88-1) + 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole (111506-26-4)

Guidance literature:

With Pt/Al₂O₃; zinc(II) oxide; In neat (no solvent); at 175 ℃; for 24h; Overall yield = 80 %; Overall yield = 560 mg; Sealed tube;

DOI:10.1021/acs.joc.7b02722

Reference yield: 90.0%

C16H18O3 + 2,3-dihydro-7H-[1,4]dioxino[2,3-e]indole (111506-26-4) → (S)-2-((2,3-dihydro-7H-[1,4]dioxino[2,3-e]indol-9-yl)(2,3-dimethylphenyl)methyl)-4-methoxyphenol

Guidance literature:

With C₄₅H₄₇O₃P; In dichloromethane; at 20 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1039/c4cc08559k

upstream raw materials:

ethylene glycol

6-amino-3,4-benzodioxane

Downstream raw materials:

3-(p-nitrophenylazo)-4,5-ethylenedioxyindole

3-(p-chlorophenylazo)-4,5-ethylenedioxyindole

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