4-(1,3-Dioxolan-2-yl)benzaldehyde

Base Information

• Chemical Name: 4-(1,3-Dioxolan-2-yl)benzaldehyde
• CAS No.: 40681-88-7
• Molecular Formula: C10H10 O3
• Molecular Weight: 178.188
• European Community (EC) Number: 878-054-7
• DSSTox Substance ID: DTXSID701300248
• Nikkaji Number: J694.530I
• Mol file: 40681-88-7.mol

Synonyms:4-(1,3-dioxolan-2-yl)benzaldehyde;40681-88-7;BENZALDEHYDE,4-(1,3-DIOXOLAN-2-YL)-;4-[1,3]Dioxolan-2-ylbenzaldehyde;MFCD03180272;Benzaldehyde, 4-(1,3-dioxolan-2-yl)-;SCHEMBL1099421;DTXSID701300248;2-(4-formylphenyl)-1,3-dioxolane;4-[1,3]dioxolane-2-ylbenzaldehyde;4-(1,3)-dioxolan-2yl-benzaldehyde;4-[1,3] Dioxolan-2-ylbenzaldehyde;4-[1,3] dioxolane-2-ylbenzaldehyde;4-(1,3-dioxolan-2-yl)-benzaldehyde;AKOS006278063;AB13792;AS-77560;SY214211;CS-0157562;FT-0724221;EN300-266737;F11758;10.14272/XXTKORQHKOYXIH-UHFFFAOYSA-N.1;doi:10.14272/XXTKORQHKOYXIH-UHFFFAOYSA-N.1;Z1198161657

Chemical Property of 4-(1,3-Dioxolan-2-yl)benzaldehyde

Chemical Property:

• Melting Point: 110-112 °C
• Boiling Point: 311.2±37.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.214±0.06 g/cm3(Predicted)
• LogP: 1.54450
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

4-(1,3-dioxolan-2-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)C2=CC=C(C=C2)C=O

Technology Process of 4-(1,3-Dioxolan-2-yl)benzaldehyde

There total 10 articles about 4-(1,3-Dioxolan-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: 82.0%

2-(4-chlorophenyl)-1,3-dioxolane (2403-54-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-(1,3-dioxolan-2-yl)benzaldehyde (40681-88-7)

Guidance literature:

2-(4-chlorophenyl)-1,3-dioxolane; With naphthalene; lithium; In tetrahydrofuran; at -78 ℃; for 1.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; for 2h; Inert atmosphere;

DOI:10.1002/adsc.200800089

Reference yield: 80.0%

p-bromobenzaldehyde 1,3-dioxolane (10602-01-4) + 3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide (50978-45-5) → 4-(1,3-dioxolan-2-yl)benzaldehyde (40681-88-7)

Guidance literature:

With triethylsilane; palladium diacetate; sodium carbonate; 1,4-di(diphenylphosphino)-butane; In N,N-dimethyl-formamide; at 85 ℃; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201303926

Reference yield: 72.0%

terephthalaldehyde, (623-27-8) + ethylene glycol (107-21-1) → 4-(1,3-dioxolan-2-yl)benzaldehyde (40681-88-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 3h; Reflux;

DOI:10.1016/j.dyepig.2013.07.031

upstream raw materials:

terephthalaldehyde,

ethylene glycol

2-Benzyl-1-[(4-[1,3]dioxolan-2-yl-phenyl)-methoxy-methoxy]-anthracene-9,10-diol

4-(1',3'-dioxolan-2'-yl)benzyl alcohol

Downstream raw materials:

4-(4-Phenoxy-but-2-ynoyl)-benzoic acid

4-(3-Phenyl-propynoyl)-benzoic acid

2-(4-[1,3]dioxolan-2-yl-styryl)-5-nitro-1-vinyl-1H-imidazole

4-(4-[1,3]Dioxolan-2-yl-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester