3-(1,3-Dioxolan-2-yl)propanal

Base Information

• Chemical Name: 3-(1,3-Dioxolan-2-yl)propanal
• CAS No.: 82962-18-3
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2932999099
• European Community (EC) Number: 280-075-6
• DSSTox Substance ID: DTXSID101003028
• Nikkaji Number: J278.697D
• Wikidata: Q82997421
• Mol file: 82962-18-3.mol

Synonyms:3-(1,3-dioxolan-2-yl)propanal;82962-18-3;1,3-Dioxolane-2-propionaldehyde;1,3-Dioxolane-2-propanal;EINECS 280-075-6;SCHEMBL985970;XFMMMZDHPNOERJ-UHFFFAOYSA-N;DTXSID101003028;AKOS006274276;CS-0246012;EN300-315211;Z1198155855

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

Chemical Property:

• Vapor Pressure: 0.307mmHg at 25°C
• Boiling Point: 201.5°C at 760 mmHg
• Flash Point: 65.8°C
• PSA: 35.53000
• Density: 1.064g/cm³
• LogP: 0.33840
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 86.3

Purity/Quality:

97% ^*data from raw suppliers

3-(1,3-Dioxolan-2-yl)propanal 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCC=O

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

There total 8 articles about 3-(1,3-Dioxolan-2-yl)propanal 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: 87.0%

3-(1,3-dioxolan-2-yl)propan-1-ol (85391-14-6) → 3-([1,3]-dioxolan-2-yl)propanal (82962-18-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 23 ℃; for 3h;

DOI:10.1021/jo9909002

Reference yield: 57.1%

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-([1,3]-dioxolan-2-yl)propanal (82962-18-3)

Guidance literature:

With magnesium; In tetrahydrofuran; for 1.5h; Ambient temperature;

DOI:10.1016/S0040-4020(01)92285-9

Reference yield:

2-vinyl-1,3-dioxolane (3984-22-3) + carbon monoxide (201230-82-2) → 3-([1,3]-dioxolan-2-yl)propanal (82962-18-3)

Guidance literature:

With (acetylacetonato)dicarbonylrhodium (l); hydrogen; triphenylphosphine; In toluene; at 65 ℃; for 48h; under 12929 Torr; Autoclave;

upstream raw materials:

2-bromo-2-(2-ethyl)dioxolane

N,N-dimethyl-formamide

3-(1,3-dioxolan-2-yl)propan-1-ol

1,3-dioxolan-2-ylethylmagnesium bromide

Downstream raw materials:

(1S,1’R)-1-[(2’-benzyloxy-1’-phenylethylamino)methyl]-3-[1,3]dioxolan-2-ylpropyl acetate

(1’R,2S)-2-(2’-benzyloxy-1’-phenylethylamino)-4-[1,3]dioxolan-2-ylbutyl acetate

(1’R,2S)-1-(2’-benzyloxy-1’-phenylethyl)-2-(2-[1,3]dioxolan-2-ylethyl)aziridine

C₂₂H₂₇NO₃