2-(Oxetan-3-ylidene)acetaldehyde

Base Information

• Chemical Name: 2-(Oxetan-3-ylidene)acetaldehyde
• CAS No.: 922500-93-4
• Molecular Formula: C5H6O2
• Molecular Weight: 98.1014
• Hs Code.: 2932990090
• DSSTox Substance ID: DTXSID80693398
• Nikkaji Number: J2.403.826B
• Mol file: 922500-93-4.mol

Synonyms:2-(OXETAN-3-YLIDENE)ACETALDEHYDE;922500-93-4;MFCD12547194;Acetaldehyde, 2-(3-oxetanylidene)-;2-(3-Oxetanylidene)acetaldehyde;(Oxetan-3-ylidene)acetaldehyde;DTXSID80693398;YNPWQZQHYRKIRZ-UHFFFAOYSA-N;2-(Oxetane-3-ylidene)acetaldehyde;AMY32069;AKOS015907311;CS-0325839;FT-0764420;A916942

Chemical Property of 2-(Oxetan-3-ylidene)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.352mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 198.859 °C at 760 mmHg
• Flash Point: 90.232 °C
• PSA: 26.30000
• Density: 1.281 g/cm³
• LogP: 0.14190
• Storage Temp.: 2-8°C
• XLogP3: -1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.036779430
• Heavy Atom Count: 7
• Complexity: 98.6

Purity/Quality:

98%min ^*data from raw suppliers

2-(Oxetan-3-ylidene)acetaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC=O)CO1

Technology Process of 2-(Oxetan-3-ylidene)acetaldehyde

There total 1 articles about 2-(Oxetan-3-ylidene)acetaldehyde 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: 81.0%

oxetan-3-one (6704-31-0) + (triphenylphosphoranylidene)acetaldehyde (2136-75-6) → 2-(oxetan-3-ylidene)acetaldehyde (922500-93-4)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/anie.200602343

Reference yield: 78.0%

2-(oxetan-3-ylidene)acetaldehyde (922500-93-4) + p-tert-butylphenylboronic acid (123324-71-0) → [3-(4-tert-butyl-phenyl)-oxetan-3-yl]-acetaldehyde (922501-06-2)

Guidance literature:

With potassium hydroxide; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In 1,4-dioxane; water; at 20 ℃; for 1.33333h;

DOI:10.1002/anie.200602343

Reference yield: 58.0%

2-(oxetan-3-ylidene)acetaldehyde (922500-93-4) + 1-benzyl-2-vinylaziridine (202596-67-6) → 5-benzyl-7-vinyl-2-oxa-5-azaspiro[3.4]octane-8-carbaldehyde

Guidance literature:

With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutyl-ammonium chloride; benzoic acid; In diethyl ether; at -20 ℃; for 48h; stereoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201604995

upstream raw materials:

oxetan-3-one

(triphenylphosphoranylidene)acetaldehyde

Downstream raw materials:

[3-(4-tert-butyl-phenyl)-oxetan-3-yl]-acetaldehyde

Refernces

• 1、 Wuitschik, Georg,Carreira, Erick M.,Wagner, Bj?rn,Fischer, Holger,Parrilla, Isabelle,Schuler, Franz,Rogers-Evans, Mark,Müller, Klaus. "Oxetanes in drug discovery: Structural and synthetic insights". supporting information; scheme or table. p. 3227 - 3246. Retrieved 2010/08/19.