6-Formyl-2,2-dimethyl-1,3-benzodioxan

Base Information

• Chemical Name: 6-Formyl-2,2-dimethyl-1,3-benzodioxan
• CAS No.: 54030-33-0
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2932999099
• European Community (EC) Number: 836-974-6
• Nikkaji Number: J2.765.759A
• Mol file: 54030-33-0.mol

Synonyms:54030-33-0;6-FORMYL-2,2-DIMETHYL-1,3-BENZODIOXAN;2,2-dimethyl-2,4-dihydro-1,3-benzodioxine-6-carbaldehyde;2,2-Dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde;2,2-DIMETHYL-4H-1,3-BENZODIOXINE-6-CARBALDEHYDE;ACIFLUORFENSODIUM;SCHEMBL6156513;AKOS022700299;CS-0233847;FT-0668824;EN300-136525;Z1255433349

Chemical Property of 6-Formyl-2,2-dimethyl-1,3-benzodioxan

Chemical Property:

• Melting Point: 56-58 °C
• Boiling Point: 318.1±42.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 2.14420
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

6-Formyl-2,2-dimethyl-1,3-benzodioxan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC2=C(O1)C=CC(=C2)C=O)C
• Uses: A 1,3-benzodioxan intermediate as bactericidal and fungicidal. An intermediate for the preparation of cycloSal-pronucleotides as anti-AIDS agents.

Technology Process of 6-Formyl-2,2-dimethyl-1,3-benzodioxan

There total 7 articles about 6-Formyl-2,2-dimethyl-1,3-benzodioxan 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: 94.0%

6-bromo-2,2-dimethyl-4H-benzo[1,3]dioxine (52113-69-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-carboxaldehyde (54030-33-0)

Guidance literature:

6-bromo-2,2-dimethyl-4H-benzo[1,3]dioxine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Further stages.;

DOI:10.1021/jm0613267

Reference yield: 80.0%

4-hydroxy-3-(hydroxymethyl)benzaldehyde (54030-32-9) + 2,2-dimethoxy-propane (77-76-9) → 2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-carboxaldehyde (54030-33-0)

Guidance literature:

With toluene-4-sulfonic acid; In acetone;

DOI:10.1016/j.tetasy.2011.08.008

Reference yield: 36.0%

→ 2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-carboxaldehyde (54030-33-0)

Guidance literature:

upstream raw materials:

6-bromo-2,2-dimethyl-4H-benzo[1,3]dioxine

N,N-dimethyl-formamide

5-bromo-2-hydroxybenzyl alcohol

5-bromosalicyclaldehyde

Downstream raw materials:

4-hydroxy-3-(hydroxymethyl)benzaldehyde

(S)-Salmeterol

(R)-(-)-salmeterol

(R)-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4-phenylbutoxy)hexylamino)ethanol