1-(2,2-Diethoxyethoxy)-4-fluorobenzene

Base Information

• Chemical Name: 1-(2,2-Diethoxyethoxy)-4-fluorobenzene
• CAS No.: 59769-37-8
• Molecular Formula: C12H17FO3
• Molecular Weight: 228.264
• DSSTox Substance ID: DTXSID40466181
• Wikidata: Q82292680
• Mol file: 59769-37-8.mol

Synonyms:1-(2,2-diethoxyethoxy)-4-fluorobenzene;59769-37-8;(4-Fluorophenoxy)acetaldehyde Diethyl Acetal;2-(4-fluoro-phenoxy)-acetaldehyde diethyl acetal;SCHEMBL2329756;C12H17FO3;DTXSID40466181;HISQDLGUCGVTTQ-UHFFFAOYSA-N;AKOS012940648;SS-5220;4-fluorophenoxyacetaldehyde diethylacetal;4-fluorophenoxyacetaldehyde diethyl acetal;CS-0363318

Chemical Property of 1-(2,2-Diethoxyethoxy)-4-fluorobenzene

Chemical Property:

• PSA: 27.69000
• LogP: 2.60360
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, DCM, Ethyl Acetate
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 228.11617256
• Heavy Atom Count: 16
• Complexity: 164

Purity/Quality:

(4-Fluorophenoxy)acetaldehydeDiethylAcetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(COC1=CC=C(C=C1)F)OCC
• Uses: (4-Fluorophenoxy)acetaldehyde Diethyl Acetal is an N-Aryloxyethylindolylalkylamine class molecule with dual 5-HT1A and serotonin transporter affinity.

Technology Process of 1-(2,2-Diethoxyethoxy)-4-fluorobenzene

There total 5 articles about 1-(2,2-Diethoxyethoxy)-4-fluorobenzene 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: 97.0%

4-Fluorophenol (371-41-5) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 2-(4-Fluorophenoxy)-acetaldehyde Diethyl Acetal (59769-37-8)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl acetamide; at 20 ℃; Heating;

DOI:10.1016/j.tet.2015.05.029

Reference yield: 82.0%

4-Fluorophenol (371-41-5) → 2-(4-Fluorophenoxy)-acetaldehyde Diethyl Acetal (59769-37-8)

Guidance literature:

In N-methyl-acetamide; hexane; mineral oil;

Reference yield:

4-Fluorophenol (371-41-5) + Bromoacetaldehyde diethyl acetal (2032-35-1) → sodium bromide + 2-(4-Fluorophenoxy)-acetaldehyde Diethyl Acetal (59769-37-8)

Guidance literature:

In hexane; N,N-dimethyl-formamide;

upstream raw materials:

4-Fluorophenol

Bromoacetaldehyde diethyl acetal

chloroacetaldehyde diethyl acetal

Downstream raw materials:

2-(4-fluorophenoxy)acetaldehyde

5-(4-fluorophenoxy)-1-penten-4-ol

5-Fluoro[b]benzofuran

5-fluoro-2-methylbenzofuran

Refernces

• 1、 Vargas, David A.,Khade, Rahul L.,Zhang, Yong,Fasan, Rudi. "Biocatalytic Strategy for Highly Diastereo- and Enantioselective Synthesis of 2,3-Dihydrobenzofuran-Based Tricyclic Scaffolds". supporting information. p. 10148 - 10152. Retrieved 2019/07/04.
• 2、 Ramella, Vincenzo,He, Zhiheng,Daniliuc, Constantin G.,Studer, Armido. "Palladium-Catalyzed Dearomatizing Difunctionalization of Indoles and Benzofurans". supporting information. p. 2268 - 2273. Retrieved 2016/05/19.