4-(4-Fluorobenzoyl)butyric Acid

Base Information

• Chemical Name: 4-(4-Fluorobenzoyl)butyric Acid
• CAS No.: 149437-76-3
• Molecular Formula: C11H11FO3
• Molecular Weight: 210.205
• Hs Code.: 29183000
• UNII: Q9WD9HE8J3
• DSSTox Substance ID: DTXSID40351048
• Wikidata: Q72479232
• Mol file: 149437-76-3.mol

Synonyms:4-(4-Fluorobenzoyl)butyric Acid;149437-76-3;5-(4-fluorophenyl)-5-oxopentanoic acid;MFCD00667222;5-(4'-Fluorophenyl)-5-oxopentanoic acid;4-Fluorophenyl-5'-oxobutyric Acid;5-(4-Fluorophenyl)-5-oxovaleric Acid;4-Fluoro-delta-oxobenzenepentanoic Acid;Benzenepentanoic acid, 4-fluoro-delta-oxo-;5-(4-Fluoro-phenyl)-5-oxo-pentanoic acid;4-(4-Fluorobenzoyl)butanoic acid;p-fluorobenzoylbutyric acid;Q9WD9HE8J3;Oprea1_166432;SCHEMBL296337;DTXSID40351048;4-(4'-Fluorophenyl)butyric acid;4-fluorophenyl-5-oxopentanoic acid;4-(4'-fluorobenzoyl) butyric acid;4-(4-fluoro-benzoyl)-butyric acid;BCP18926;4-(4-fluorobenzoyl)-1-butanoic acid;AKOS005254813;CS-W015119;PS-8016;AC-11387;SY019248;AM20061151;F0476;FT-0604776;EN300-37191;F11424;A1-00090;Q-200520;Z330828710;5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetrazole

Chemical Property of 4-(4-Fluorobenzoyl)butyric Acid

Chemical Property:

• Appearance/Colour: Off-white solid
• Melting Point: 142-144 °C
• Boiling Point: 394.6 °C at 760 mmHg
• PKA: 4.59±0.10(Predicted)
• Flash Point: 192.5 °C
• PSA: 54.37000
• Density: 1.241 g/cm³
• LogP: 2.26330
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.06922237
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorophenyl-5’-oxobutyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCCC(=O)O)F
• Uses: 4-Fluorophenyl-5’-oxobutyric Acid (cas# 149437-76-3) is a compound useful in organic synthesis.

Technology Process of 4-(4-Fluorobenzoyl)butyric Acid

There total 6 articles about 4-(4-Fluorobenzoyl)butyric Acid 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: 95.0%

glutaric anhydride, (108-55-4) + fluorobenzene (462-06-6) → 5-(4-fluorophenyl)-5-oxopentanoic acid (149437-76-3)

Guidance literature:

With hydrogenchloride; aluminum (III) chloride; In dichloromethane; water; at 0 ℃; for 0.25h;

Reference yield: 83.0%

→ 5-(4-fluorophenyl)-5-oxopentanoic acid (149437-76-3)

Guidance literature:

With aluminum (III) chloride; at 0 ℃; for 1h; Reflux;

Reference yield: 79.3%

5,5'-oxybis(5-oxopentanoic acid) (53715-97-2) → 5-(4-fluorophenyl)-5-oxopentanoic acid (149437-76-3)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; AlCl₃; In fluorobenzene; water;

upstream raw materials:

glutaric anhydride,

fluorobenzene

5,5'-oxybis(5-oxopentanoic acid)

4-flourophenylmagnesium bromide

Downstream raw materials:

C₁₆H₁₉FO₄

(4S)-4-benzyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one

6-(4-fluorophenyl)-3,4-dihydro-2H-pyran-2-one

1,9-bis(4-fluorophenyl)nonane-1,5,9-trione

Refernces

• 1、 -. "Method for synthesizing 4-(4-fluorobenzoyl) butyric acid and analogues thereof in continuous flow microreactor". Paragraph 0041-0046. . Retrieved 2021/05/12.
• 2、 -. "INHIBITORS OF APOL1 AND METHODS OF USING SAME". Paragraph 00406. . Retrieved 2020/07/14.