CID 53424335

Base Information

• Chemical Name: CID 53424335
• CAS No.: 5555-90-8
• Molecular Formula: C8H8O2
• Molecular Weight: 136.15
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80148595
• Mol file: 5555-90-8.mol

Synonyms:SCHEMBL8807218;DTXSID80148595;AKOS017515908;SB60948

Chemical Property of CID 53424335

Chemical Property:

• Vapor Pressure: 0.0847mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 225.8 °C at 760 mmHg
• Flash Point: 96 °C
• PSA: 30.21000
• Density: 1.073 g/cm³
• LogP: 1.80010
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

98.5% ^*data from raw suppliers

3-(5-Methylfuran-2-yl)acrylaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C=CC=O

Technology Process of CID 53424335

There total 1 articles about CID 53424335 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:

5-Methylfurfural (620-02-0) + acetaldehyde (75-07-0,9002-91-9) → 3-(5-methyl-2-furyl)acrolein (5555-90-8)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 90.0%

dimedone (126-81-8) + 3-(5-methyl-2-furyl)acrolein (5555-90-8) → C16H18O3

Guidance literature:

With ethylenediamine diacetic acid; In dichloromethane; Reflux;

DOI:10.1021/jo501453b

Reference yield: 75.0%

3-(5-methyl-2-furyl)acrolein (5555-90-8) + 2-(trifluoromethyl)benzenamine (88-17-5) → N-[3-(5-methyl-2-furyl)-2-propenylidene]-2-trifluoromethylaniline (640722-97-0)

Guidance literature:

With 4 A molecular sieve; In benzene; at 80 ℃; for 15h;

DOI:10.1023/A:1023910709552

upstream raw materials:

5-Methylfurfural

acetaldehyde

Downstream raw materials:

N-[3-(5-methyl-2-furyl)-2-propenylidene]-2-trifluoromethylaniline

Refernces