Ethyl-6-(4-fluorophenyl)-6-oxohexanoate

Base Information

• Chemical Name: Ethyl-6-(4-fluorophenyl)-6-oxohexanoate
• CAS No.: 327189-51-5
• Molecular Formula: C14H17FO3
• Molecular Weight: 252.28
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90592565
• Wikidata: Q82486740
• Mol file: 327189-51-5.mol

Synonyms:ETHYL-6-(4-FLUOROPHENYL)-6-OXOHEXANOATE;327189-51-5;ethyl 6-(4-fluorophenyl)-6-oxohexanoate;MFCD01311596;SCHEMBL1360326;DTXSID90592565;NCJFYIZGCBLMAJ-UHFFFAOYSA-N;AKOS016023101;DB-265051

Chemical Property of Ethyl-6-(4-fluorophenyl)-6-oxohexanoate

Chemical Property:

• Vapor Pressure: 4.69E-05mmHg at 25°C
• Boiling Point: 349.5°C at 760 mmHg
• Flash Point: 159.6°C
• PSA: 43.37000
• Density: 1.107g/cm³
• LogP: 3.13190
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 252.11617256
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

95% ^*data from raw suppliers

Ethyl-6-(4-fluorophenyl)-6-oxohexanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCC(=O)C1=CC=C(C=C1)F

Technology Process of Ethyl-6-(4-fluorophenyl)-6-oxohexanoate

There total 2 articles about Ethyl-6-(4-fluorophenyl)-6-oxohexanoate 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: 57.0%

methyl adipoyl chloride (35444-44-1) → ethyl 6-(4-fluorophenyl)-6-oxohexanoate (327189-51-5)

Guidance literature:

With sodium bicarbonate; aluminium trichloride; In fluorobenzene;

Reference yield:

ethyl 6-chloro-6-oxohexanoate (1071-71-2) + fluorobenzene (462-06-6) → ethyl 6-(4-fluorophenyl)-6-oxohexanoate (327189-51-5)

Guidance literature:

Reference yield:

ethyl 6-(4-fluorophenyl)-6-oxohexanoate (327189-51-5) → ethyl 5-bromo-6-(4-fluorophenyl)-6-oxohexanoate (327189-52-6)

Guidance literature:

With sodium bicarbonate; bromine; sodium sulfite; In dichloromethane;

upstream raw materials:

methyl adipoyl chloride

ethyl 6-chloro-6-oxohexanoate

fluorobenzene

Downstream raw materials:

ethyl 5-bromo-6-(4-fluorophenyl)-6-oxohexanoate

6-(4-fluorophenyl)-6-oxohexanoic acid

C₁₄H₁₈FNO₃

C₂₀H₃₄FNO₃Si

Refernces

• 1、 -. "Neurotrophin production secretion promoting agent". . . Retrieved 2008/06/13.