2-Methyl-4-phenoxybenzaldehyde

Base Information

• Chemical Name: 2-Methyl-4-phenoxybenzaldehyde
• CAS No.: 57830-12-3
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2912499000
• DSSTox Substance ID: DTXSID60703005
• Wikidata: Q72494559
• Mol file: 57830-12-3.mol

Synonyms:2-METHYL-4-PHENOXYBENZALDEHYDE;57830-12-3;SCHEMBL9114889;DTXSID60703005;MFCD13250194;AKOS011416707;AS-50083;O10833

Chemical Property of 2-Methyl-4-phenoxybenzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.59980
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-4-phenoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC2=CC=CC=C2)C=O

Technology Process of 2-Methyl-4-phenoxybenzaldehyde

There total 1 articles about 2-Methyl-4-phenoxybenzaldehyde 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:

4-fluoro-2-methylbenzaldehyde (63082-45-1) + phenol (108-95-2,27073-41-2) → C14H12O2 (57830-12-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1016/j.bmcl.2011.12.019

Reference yield: 14.0%

4,6-dichloropyrimidine (1193-21-1) + C14H12O2 (57830-12-3) → C18H14Cl2N2O2

Guidance literature:

4,6-dichloropyrimidine; With lithium diisopropyl amide; In tetrahydrofuran; at -100 - -90 ℃; for 1.5h; Inert atmosphere;

C₁₄H₁₂O₂; In tetrahydrofuran; at -100 - -90 ℃; for 1.5h;

Reference yield:

C14H12O2 (57830-12-3) → 2-methyl-4-phenoxybenzoic acid (57830-13-4)

Guidance literature:

With sodium chlorite; potassium dihydrogenphosphate; 2-methyl-but-2-ene; water; In tetrahydrofuran; tert-butyl alcohol;

DOI:10.1016/j.bmcl.2011.12.019

upstream raw materials:

4-fluoro-2-methylbenzaldehyde

phenol

Downstream raw materials:

2-methyl-4-phenoxybenzoic acid

C₂₀H₁₆N₂O₃S

Refernces