2-(4-Fluorophenoxy)benzaldehyde

Base Information

• Chemical Name: 2-(4-Fluorophenoxy)benzaldehyde
• CAS No.: 320423-61-8
• Molecular Formula: C13H9 F O2
• Molecular Weight: 216.212
• Hs Code.: 2913000090
• European Community (EC) Number: 624-415-7
• DSSTox Substance ID: DTXSID40382392
• Nikkaji Number: J3.114.874J
• Wikidata: Q82173733
• Mol file: 320423-61-8.mol

Synonyms:2-(4-Fluorophenoxy)benzaldehyde;320423-61-8;2-(4-Fluorophenoxy)benzenecarbaldehyde;4-fluorophenoxybenzaldehyde;SCHEMBL1201051;DTXSID40382392;MFCD01568770;AKOS000260267;CS-0313214;FT-0680075;12N-071;A875726;J-505983

Chemical Property of 2-(4-Fluorophenoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Melting Point: 53-57 °C
• Refractive Index: 1.591
• Boiling Point: 299.5°Cat760mmHg
• Flash Point: 130.7°C
• PSA: 26.30000
• Density: 1.229g/cm³
• LogP: 3.43050
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.05865769
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Fluorophenoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-(4-Fluorophenoxy)benzaldehyde

There total 5 articles about 2-(4-Fluorophenoxy)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: 90.0%

→ 2-(4-fluorophenoxy)benzaldehyde (320423-61-8)

Guidance literature:

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

Reference yield: 69.0%

bis(4-fluorophenyl)iodonium triflate (732306-64-8) + benzo[e][1,2,3]oxathiazine 2,2-dioxide (71730-46-6) → 2-(4-fluorophenoxy)benzaldehyde (320423-61-8)

Guidance literature:

With potassium tert-butylate; In 1,2-dichloro-ethane; at 60 ℃; for 0.5h; Schlenk technique; Sealed tube;

DOI:10.1039/c6ra19313g

Reference yield: 62.0%

4-Fluorophenol (371-41-5) + 2-nitro-benzaldehyde (552-89-6) → 2-(4-fluorophenoxy)benzaldehyde (320423-61-8)

Guidance literature:

With copper(II) acetate monohydrate; caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tet.2012.08.032

upstream raw materials:

2-(4-fluorophenoxy)-O,N-dimethylbenzamide

4-fluoroboronic acid

2-nitro-benzaldehyde

4-Fluorophenol

Downstream raw materials:

Methyl 2-amino-5-[2-(4-fluorophenoxy)-phenyl]thiazole-4-carboxylate

C₁₅H₁₄FNO₂S

C₁₅H₁₃FO₃S

C₁₄H₁₃FN₂OS

Refernces

• 1、 Qian, Xiaofei,Han, Jianwei,Wang, Limin. "Tert -Butoxide mediated cascade desulfonylation/arylation/hydrolysis of cyclic sulfonyimines using diaryliodonium salts: Synthesis of diaryl ether derivatives bearing a 2-aldehyde group". . p. 89234 - 89237. Retrieved 2016/10/03.
• 2、 Zheng, Xingwang,Ding, Jinchang,Chen, Jiuxi,Gao, Wenxiao,Liu, Miaochang,Wu, Huayue. "The coupling of arylboronic acids with nitroarenes catalyzed by rhodium". supporting information; experimental part. p. 1726 - 1729. Retrieved 2011/05/06.