2-(1,3-Dioxan-2-YL)benzaldehyde

Base Information

• Chemical Name: 2-(1,3-Dioxan-2-YL)benzaldehyde
• CAS No.: 139086-86-5
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00577348
• Nikkaji Number: J1.420.484I
• Wikidata: Q82467311
• Mol file: 139086-86-5.mol

Synonyms:2-(1,3-DIOXAN-2-YL)BENZALDEHYDE;139086-86-5;Benzaldehyde, 2-(1,3-dioxan-2-yl)- (9CI);MFCD07700185;SCHEMBL6157162;DTXSID00577348;AKOS006287754;CS-0445665

Chemical Property of 2-(1,3-Dioxan-2-YL)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000571mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 311.2°Cat760mmHg
• Flash Point: 133°C
• PSA: 35.53000
• Density: 1.169g/cm³
• LogP: 1.93460
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

2-(1,3-Dioxan-2-yl)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(OC1)C2=CC=CC=C2C=O

Technology Process of 2-(1,3-Dioxan-2-YL)benzaldehyde

There total 5 articles about 2-(1,3-Dioxan-2-YL)benzaldehyde 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%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2-(ortho-bromophenyl)-1,3-dioxane (61568-53-4) → 2-(1,3-dioxan-2-yl)benzaldehyde (139086-86-5)

Guidance literature:

2-(ortho-bromophenyl)-1,3-dioxane; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -50 ℃; for 0.666667h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/ejoc.200900365

Reference yield: 84.0%

o-phthalic dicarboxaldehyde (643-79-8) + trimethyleneglycol (504-63-2) → 2-(1,3-dioxan-2-yl)benzaldehyde (139086-86-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1016/S0040-4020(01)96191-5

Reference yield:

2-[1,3]Dioxan-2-yl-benzoic acid methyl ester → 2-(1,3-dioxan-2-yl)benzaldehyde (139086-86-5)

Guidance literature:

With diisobutylaluminium hydride; pyridinium chlorochromate; Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(01)96191-5

upstream raw materials:

o-phthalic dicarboxaldehyde

trimethyleneglycol

methyl o-formylbenzoate

o-carboxybenzaldehyde

Downstream raw materials:

[2-(1,3-dioxan-2-yl)phenyl]ethene

2-<2-(3-hydroxy-2-propenyl)phenyl>-1,3-dioxane

2-<2-(3-bromo-2-propenyl)phenyl>-1,3-dioxane

2-<2-(2-propenyl)phenyl>-1,3-dioxanyltriphenyl-phosphonium bromide