3-Fluoro-4-phenoxy-benzaldehyde

Base Information

• Chemical Name: 3-Fluoro-4-phenoxy-benzaldehyde
• CAS No.: 887576-87-6
• Molecular Formula: C13H9FO2
• Molecular Weight: 216.212
• Hs Code.: 2913000090
• Mol file: 887576-87-6.mol

Synonyms:3-Fluoro-4-phenoxybenzaldehyde; 4-(Phenoxy)-3-fluoro-benzaldehyde; benzaldehyde, 3-fluoro-4-phenoxy-

Chemical Property of 3-Fluoro-4-phenoxy-benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Boiling Point: 297.8°C at 760 mmHg
• Flash Point: 129.7°C
• PSA: 26.30000
• Density: 1.229g/cm³
• LogP: 3.43050
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-4-phenoxybenzaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Fluoro-4-phenoxy-benzaldehyde

There total 1 articles about 3-Fluoro-4-phenoxy-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: 52.0%

3,4 difluorobenzaldehyde (34036-07-2) + phenol (108-95-2,27073-41-2) → C13H9FO2 (887576-87-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 0.5h;

Reference yield:

C13H9FO2 (887576-87-6) → 3-fluoro-4-phenoxybenzoic acid (129623-62-7)

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

Reference yield:

C13H9FO2 (887576-87-6) → C27H31FN2O3SSi

Guidance literature:

Multi-step reaction with 2 steps

1: sodium chlorite; potassium dihydrogenphosphate; 2-methyl-but-2-ene; water / tetrahydrofuran; tert-butyl alcohol

2: benzotriazol-1-ol / acetonitrile

With sodium chlorite; potassium dihydrogenphosphate; 2-methyl-but-2-ene; water; benzotriazol-1-ol; In tetrahydrofuran; acetonitrile; tert-butyl alcohol; 1: Pinnick oxidation;

DOI:10.1016/j.bmcl.2011.12.019

upstream raw materials:

3,4 difluorobenzaldehyde

phenol

Downstream raw materials:

3-fluoro-4-phenoxybenzoic acid

{4-ethyl-5-[5-(3-fluoro-4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methanol

Refernces

• 1、 Nakamura, Tsuyoshi,Asano, Masayoshi,Sekiguchi, Yukiko,Mizuno, Yumiko,Tamaki, Kazuhiko,Kimura, Takako,Nara, Futoshi,Kawase, Yumi,Shimozato, Takaichi,Doi, Hiromi,Kagari, Takashi,Tomisato, Wataru,Inoue, Ryotaku,Nagasaki, Miyuki,Yuita, Hiroshi,Oguchi-Oshima, Keiko,Kaneko, Reina,Watanabe, Nobuaki,Abe, Yasuyuki,Nishi, Takahide. "Discovery of CS-2100, a potent, orally active and S1P3-sparing S1P1 agonist". scheme or table. p. 1788 - 1792. Retrieved 2012/04/04.