6H-[1,3]Dioxolo[4,5-e]indole

Base Information

• Chemical Name: 6H-[1,3]Dioxolo[4,5-e]indole
• CAS No.: 17367-93-0
• Molecular Formula: C₉H₇NO₂
• Molecular Weight: 161.16
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50600094
• Wikidata: Q82496056
• Mol file: 17367-93-0.mol

Synonyms:17367-93-0;6H-[1,3]Dioxolo[4,5-e]indole;4,5-Methylenedioxyindole;2H,6H-[1,3]DIOXOLO[4,5-E]INDOLE;6H-1,3-Dioxolo[4,5-e]indole;DTXSID50600094;AKOS006290726

Chemical Property of 6H-[1,3]Dioxolo[4,5-e]indole

Chemical Property:

• Boiling Point: 334.683 °C at 760 mmHg
• Flash Point: 122.493 °C
• PSA: 34.25000
• Density: 1.426 g/cm³
• LogP: 1.89660
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

6H-[1,3]Dioxolo[4,5-e]indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C3=C(C=C2)NC=C3

Technology Process of 6H-[1,3]Dioxolo[4,5-e]indole

There total 4 articles about 6H-[1,3]Dioxolo[4,5-e]indole 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: 50.0%

(E)-β-(dimethylamino)-5,6-(methylenedioxy)-2-nitrostyrene (82173-70-4) → 4,5-(methylenedioxy)indole (17367-93-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In benzene; for 7h; under 2280 Torr;

DOI:10.1021/jm00350a005

Reference yield:

4-methyl-benzo[1,3]dioxole (20487-10-9) → 4,5-(methylenedioxy)indole (17367-93-0)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃, Hg(OAc)2, AcOH / 2 h / 80 °C

2: dimethylformamide / 4 h / Heating

3: 50 percent / H₂ / 10percent Pd/C / benzene / 7 h / 2280 Torr

With mercury(II) diacetate; hydrogen; nitric acid; acetic acid; palladium on activated charcoal; In N,N-dimethyl-formamide; benzene;

DOI:10.1021/jm00350a005

Reference yield:

2-nitro-5,6-(methylenedioxy)toluene (72744-52-6) → 4,5-(methylenedioxy)indole (17367-93-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 4 h / Heating

2: 50 percent / H₂ / 10percent Pd/C / benzene / 7 h / 2280 Torr

With hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; benzene;

DOI:10.1021/jm00350a005

upstream raw materials:

(E)-β-(dimethylamino)-5,6-(methylenedioxy)-2-nitrostyrene

4-methyl-benzo[1,3]dioxole

2-nitro-5,6-(methylenedioxy)toluene

3-methylbenzene-1,2-diol

Refernces