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

Base Information

• Chemical Name: 4-(1,3-Dioxolan-2-yl)butanal
• CAS No.: 16776-90-2
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• Hs Code.: 2932999099
• European Community (EC) Number: 605-488-4
• DSSTox Substance ID: DTXSID90436213
• Nikkaji Number: J1.642.576A
• Wikidata: Q72480583
• Mol file: 16776-90-2.mol

Synonyms:4-(1,3-Dioxolan-2-yl)butanal;16776-90-2;SCHEMBL3535726;glutaraldehyde monoethylene acetal;DTXSID90436213;4-(1,3-Dioxolane-2-yl)butanal;MFCD09865036;AKOS005073640;SS-2968;J-513198

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

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Refractive Index: 1.43
• Boiling Point: 219.636 °C at 760 mmHg
• Flash Point: 76.926 °C
• PSA: 57.53000
• Density: 1.039 g/cm³
• LogP: -0.33370
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 97

Purity/Quality:

98%min ^*data from raw suppliers

4-(1,3-Dioxolan-2-yl)butanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCCC=O
• Uses: 1,3-Dioxolane-2-butanal is an intermediate in the synthesis of 5-DOXYL-stearic Acid, Free Radical (D535528), a spin label that is used for investigating structural changes in lipids. 5-DOXYL-stearic Acid, Free Radical can also be used in biological study of C-edge loops of arrestin function as membrane anchor.

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

There total 1 articles about 4-(1,3-Dioxolan-2-yl)butanal 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:

→ 2,2'-trimethylene-bis-1,3-dioxolane (6543-04-0) + 5-(1,3-dioxolan-2-yl)-1-pentanal (16776-90-2)

Guidance literature:

Reference yield: 100.0%

5-(1,3-dioxolan-2-yl)-1-pentanal (16776-90-2) + (R)-N-2,4,6-trimethoxybenzylphenylglycinol (204845-22-7) → (2R,4R)-2-(3-[1,3]Dioxolan-2-yl-propyl)-4-phenyl-3-(2,4,6-trimethoxy-benzyl)-oxazolidine (205526-52-9)

Guidance literature:

With sodium sulfate; In dichloromethane; for 48h; Ambient temperature;

DOI:10.3987/com-97-s32

Reference yield: 96.0%

5-(1,3-dioxolan-2-yl)-1-pentanal (16776-90-2) → C25H36O6

Guidance literature:

C₁₈H₂₄O₃; With dicyclohexylboron chloride; triethylamine; In diethyl ether; hexane; at 0 - 20 ℃; for 0.5h;

5-(1,3-dioxolan-2-yl)-1-pentanal; In diethyl ether; hexane; at -78 ℃; for 5.16667h;

With dihydrogen peroxide; In methanol; diethyl ether; hexane; water; at -20 ℃; for 12h;

Downstream raw materials:

(2R,4R)-2-(3-[1,3]Dioxolan-2-yl-propyl)-4-phenyl-3-(2,4,6-trimethoxy-benzyl)-oxazolidine

α-aminoadipate semialdehyde ethyleneacetal

pyridine

Refernces