3-(4-Methylphenoxy)benzaldehyde

Base Information

• Chemical Name: 3-(4-Methylphenoxy)benzaldehyde
• CAS No.: 79124-75-7
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2912499000
• European Community (EC) Number: 279-068-0
• DSSTox Substance ID: DTXSID401000273
• Nikkaji Number: J319.224E
• Wikidata: Q82993736
• Mol file: 79124-75-7.mol

Synonyms:3-(4-Methylphenoxy)benzaldehyde;79124-75-7;3-(p-Tolyloxy)benzaldehyde;EINECS 279-068-0;3-(p-Methylphenoxy)benzaldehyde;3-(4-methylphenoxy)-benzaldehyde;3-p-tolyloxy-benzaldehyde;m-(p-Methylphenoxy)benzaldehyde;SCHEMBL1071646;DTXSID401000273;Benzaldehyde, 3-(4-methylphenoxy)-;AKOS009156894;3-(4-Methylphenoxy)benzaldehyde, 97%;FT-0641708;A839590

Chemical Property of 3-(4-Methylphenoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000332mmHg at 25°C
• Refractive Index: n20/D 1.59(lit.)
• Boiling Point: 319.7 °C at 760 mmHg
• Flash Point: 158.6 °C
• PSA: 26.30000
• Density: 1.129 g/cm³
• LogP: 3.59980
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(4-Methylphenoxy)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
• Uses: 3-(4-Methylphenoxy)benzaldehyde was used in the synthesis of benzoxazole derivatives of the mannopeptimycin glycopeptide antibiotics.

Technology Process of 3-(4-Methylphenoxy)benzaldehyde

There total 8 articles about 3-(4-Methylphenoxy)benzaldehyde 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: 83.0%

p-cresol (106-44-5) + m-bromobenzoic aldehyde (3132-99-8) → 3-(4-methylphenoxy)-benzaldehyde (79124-75-7)

Guidance literature:

With pyridine; potassium carbonate; copper(II) oxide; In quinoline; at 170 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jm101405t

Reference yield: 52.0%

C17H18O3 → 3-(4-methylphenoxy)-benzaldehyde (79124-75-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water;

DOI:10.1016/j.ejmech.2021.113784

Reference yield: 19.0%

4-methylphenylboronic acid (5720-05-8) + meta-hydroxybenzaldehyde (100-83-4) → 3-(4-methylphenoxy)-benzaldehyde (79124-75-7)

Guidance literature:

With triethylamine; copper diacetate; In dichloromethane; at 10 - 35 ℃; for 48h;

upstream raw materials:

4-methylphenylboronic acid

meta-hydroxybenzaldehyde

p-cresol

m-bromobenzoic aldehyde

Refernces

• 1、 Speri, Enrico,Kim, Choon,De Benedetti, Stefania,Qian, Yuanyuan,Lastochkin, Elena,Fishovitz, Jennifer,Fisher, Jed F.,Mobashery, Shahriar. "Cinnamonitrile adjuvants restore susceptibility to β-lactams against methicillin-resistant staphylococcus aureus". . p. 1148 - 1153. Retrieved 2019/08/27.
• 2、 Sayama, Misa,Inoue, Asuka,Nakamura, Sho,Jung, Sejin,Ikubo, Masaya,Otani, Yuko,Uwamizu, Akiharu,Kishi, Takayuki,Makide, Kumiko,Aoki, Junken,Hirokawa, Takatsugu,Ohwada, Tomohiko. "Probing the Hydrophobic Binding Pocket of G-Protein-Coupled Lysophosphatidylserine Receptor GPR34/LPS1 by Docking-Aided Structure-Activity Analysis". supporting information. p. 6384 - 6399. Retrieved 2017/08/02.