4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin

Base Information

• Chemical Name: 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin
• CAS No.: 18096-62-3
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Hs Code.: 2932999099
• European Community (EC) Number: 241-997-4
• DSSTox Substance ID: DTXSID5051810
• Nikkaji Number: J52.284H
• Mol file: 18096-62-3.mol

Synonyms:18096-62-3;4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine;4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin;INDOLAROME;4,4a,5,9b-tetrahydroindeno[1,2-d]-1,3-dioxin;Dihydroindenyl-2,4-dioxane;4,5-Indeno-1,3-dioxan;EINECS 241-997-4;Indeno[1,2-d]-1,3-dioxin, 4,4a,5,9b-tetrahydro-;4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxine;Indeno(1,2-d)-1,3-dioxin, 4,4a,5,9b-tetrahydro-;4,4a,5,9b-tetrahydroindeno[1,2-d]-1,3-dioxine;SCHEMBL273238;2H,4H,4aH,5H,9bH-indeno[1,2-d][1,3]dioxine;DTXSID5051810;MFCD00464123;STK008235;AKOS005375905;CS-0324128;EU-0017677;FT-0627210;2-Hydroxymethyleneindalol-1 formaldehyde acetal;SR-01000512269;4,4a,5,9b-tetrahydroindeno(1,2-d)-1,3- dioxin;SR-01000512269-1;W-110472;4,4a,5,9b - tetrahydroindeno(1,2 - d) - 1,3 - dioxin

Chemical Property of 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin

Chemical Property:

• Vapor Pressure: 0.00557mmHg at 25°C
• Boiling Point: 282.9°Cat760mmHg
• Flash Point: 131.4°C
• PSA: 18.46000
• Density: 1.154g/cm³
• LogP: 1.69920
• Water Solubility.: 3.89g/L at 20℃
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2COCOC2C3=CC=CC=C31

Technology Process of 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin

There total 4 articles about 4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin 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: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-indene (95-13-6) → 4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxin (18096-62-3)

Guidance literature:

With iodine; In dichloromethane; at 23 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2008.05.014

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-indene (95-13-6) → (4ar,9bt)-4,4a,5,9b-tetrahydro-indeno[1,2-d][1,3]dioxin (2276-41-7,18096-62-3,39683-33-5)

Guidance literature:

With sulfuric acid;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → (4ar,9bt)-4,4a,5,9b-tetrahydro-indeno[1,2-d][1,3]dioxin (2276-41-7,18096-62-3,39683-33-5)

Guidance literature:

With sulfuric acid;

upstream raw materials:

formaldehyd

1-indene

Downstream raw materials:

2-(hydroxymethyl)indan

Refernces

• 1、 Yadav,Reddy, B.V. Subba,Hara Gopal,Narayana Kumar,Madavi,Kunwar. "Iodine as a mild and versatile reagent for the synthesis of 1,3-dioxane derivatives via the Prins reaction". . p. 4420 - 4423. Retrieved 2008/12/21.