8aH-[1,3]dioxolo[4,5-f]indole

Base Information

• Chemical Name: 8aH-[1,3]dioxolo[4,5-f]indole
• CAS No.: 267-48-1
• Molecular Formula: C9H7 N O2
• Molecular Weight: 161.16
• Mol file: 267-48-1.mol

Synonyms:8aH-[1,3]dioxolo[4,5-f]indole;NSC 92516;EINECS 205-976-3;BRN 0132678;LS-62692

Chemical Property of 8aH-[1,3]dioxolo[4,5-f]indole

Chemical Property:

• Vapor Pressure: 0.000244mmHg at 25°C
• Melting Point: 110 °C
• Boiling Point: 350.4°Cat760mmHg
• PKA: 16.93±0.20(Predicted)
• Flash Point: 134.9°C
• PSA: 34.25000
• Density: 1.47g/cm³
• LogP: 1.89660
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 350

Purity/Quality:

98% ^*data from raw suppliers

5,6-Methylenedioxyindole ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2C=C3C=CN=C3C=C2O1

Technology Process of 8aH-[1,3]dioxolo[4,5-f]indole

There total 26 articles about 8aH-[1,3]dioxolo[4,5-f]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: 91.0%

6,β-dinitro-3,4-methylenedioxystyrene (15794-43-1) → 5,6-methylenedioxyindole (267-48-1)

Guidance literature:

With silica gel; iron; In cyclohexane; acetic acid; benzene; for 1h; Heating;

DOI:10.1021/jo00167a045

Reference yield: 90.0%

→ 5,6-methylenedioxyindole (267-48-1)

Guidance literature:

With potassium fluoride; bis(pinacol)diborane; In ethanol; at 100 ℃; for 12h; Inert atmosphere;

Reference yield: 86.0%

3,4-Methylenedioxy-6-(trifluoroacetylamino)phenylacetaldehyde (93578-23-5) → 5,6-methylenedioxyindole (267-48-1)

Guidance literature:

With 3-azapentane-1,5-diamine; In methanol; at 30 ℃; for 20h;

DOI:10.1002/jhet.5570210451

upstream raw materials:

6,β-dinitro-3,4-methylenedioxystyrene

2-(3,4-Methylenedioxy-6-nitrophenyl)-1-methoxyethanol

3,4-Methylenedioxy-6-(trifluoroacetylamino)phenylacetaldehyde

trans-1-(3,4-(Methylenedioxy)-6-nitrophenyl)-2-nitroethene

Downstream raw materials:

5-(benzenesulfonyl)-[1,3]dioxolo[4,5-f]indole

6,7,7-Tribromo-7H-[1,3]dioxolo[4,5-f]indole

5,6-methylenedioxy-1-(3',4',5'-trimethoxybenzoyl)indole

9-ING-41

Refernces

• 1、 Burton,Duffield. "-". . p. 78. Retrieved 1949.
• 2、 -. "Preparation method of 5, 6-methylenedioxy indole". . . Retrieved 2021/03/31.
• 3、 -. "COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS". Paragraph 0139-0140. . Retrieved 2019/12/25.