3-Phenoxybenzaldehyde

Base Information

• Chemical Name: 3-Phenoxybenzaldehyde
• CAS No.: 39515-51-0
• Molecular Formula: C13H10O2
• Molecular Weight: 198.221
• Hs Code.: 29124900
• European Community (EC) Number: 254-487-1
• UNII: 2ZI2173196
• DSSTox Substance ID: DTXSID3028005
• Nikkaji Number: J324G
• Wikidata: Q27255858
• Metabolomics Workbench ID: 127540
• ChEMBL ID: CHEMBL22531
• Mol file: 39515-51-0.mol

Synonyms:3-phenoxybenzaldehyde

Chemical Property of 3-Phenoxybenzaldehyde

Chemical Property:

• Appearance/Colour: clear yellow to amber liquid
• Vapor Pressure: 2.3E-06mmHg at 25°C
• Melting Point: 13 °C
• Refractive Index: n20/D 1.595(lit.)
• Boiling Point: 392.4 °C at 760 mmHg
• Flash Point: 156.1 °C
• PSA: 26.30000
• Density: 1.154 g/cm³
• LogP: 3.29140
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

3-Phenoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T+
• Hazard Codes: Xn
• Statements: 22-26
• Safety Statements: 23-24/25-45-38-28

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O
• Uses: 3-phenoxybenzaldehyde is an important intermediate for the synthesis of pyrethroid pesticides phenothrin, cypermethrin, deltamethrin,fenvalerate, fenpropathrin, flucythrinate, cyhalothrin, etc.

Technology Process of 3-Phenoxybenzaldehyde

There total 58 articles about 3-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: 100.0%

3-Phenoxybenzyl alcohol (13826-35-2) → 3-Phenoxybenzaldehyde (39515-51-0)

Guidance literature:

With iodosylbenzene; Cl-CH₂-PS supported 5-amino-1,10-phenanthroline-Ru; In acetonitrile; at 60 ℃; for 2h;

DOI:10.1016/j.jorganchem.2005.10.023

Reference yield: 97.0%

α,α-dichloro-3-phenoxytoluene (53874-68-3) + 3-phenoxybenzyl chloride (53874-66-1) → 3-Phenoxybenzaldehyde (39515-51-0)

Guidance literature:

With hydrogenchloride; hexamethylenetetramine; In water; acetic acid;

Reference yield: 91.0%

N-isobutylidene-3-phenoxybenzylamine + potassium tert-butylate (865-47-4) → 3-Phenoxybenzaldehyde (39515-51-0)

Guidance literature:

With hydrogenchloride; In water; toluene;

upstream raw materials:

3-phenoxy-benzoyl chloride

3-phenoxybenzonitrile

3-phenoxytoluene

3-Phenoxybenzaldehyde Oxime

Downstream raw materials:

alpha-cyano-3-phenoxybenzyl acetate

(3-phenoxyhenyl)methanediyl diacetate

Thiophosphoric acid O-[cyano-(3-phenoxy-phenyl)-methyl] ester O',O''-dimethyl ester

3-phenoxybenzoic acid

Refernces

• 1、 Choudhuri, Jyoti Roy,Churipard, Sathyapal R.,Kanakikodi, Kempanna S.,Maradur, Sanjeev P.. "Polyoxotungstate ([PW11O39]7-) immobilized on mesoporous polymer for selective liquid-phase oxidation of alcohols using H2O2". . p. 35988 - 35997. Retrieved 2020.
• 2、 -. "Preparation method of m-phenoxy benzaldehyde". Paragraph 0034; 0059; 0061-0067; 0069-0075; 0077-0080; 0082. . Retrieved 2021/04/28.
• 3、 Abinaya, R.,Balasubramaniam, K. K.,Baskar, B.,Divya, P.,Mani Rahulan, K.,Rahman, Abdul,Sridhar, R.,Srinath, S.. "Visible light mediated selective oxidation of alcohols and oxidative dehydrogenation of N-heterocycles using scalable and reusable La-doped NiWO4nanoparticles". . p. 5990 - 6007. Retrieved 2021/08/24.