2-(4-Chlorophenyl)-2-fluoroacetic acid

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-fluoroacetic acid
• CAS No.: 74590-69-5
• Molecular Formula: C₈H₆ClFO₂
• Molecular Weight: 188.586
• DSSTox Substance ID: DTXSID001294537
• Wikidata: Q107942780

Synonyms:2-(4-chlorophenyl)-2-fluoroacetic acid;74590-69-5;p-chlorophenylfluoroacetic acid;SCHEMBL11405448;RLCNEBPZNGMKMO-UHFFFAOYSA-N;DTXSID001294537;ZCA59069;MFCD20639653;AKOS017531770;4-Chloro-alpha-fluorobenzeneacetic acid;2-(4-Chlorophenyl)-2-fluoroaceticAcid;BS-18046;SY263425;CS-0104537;EN300-1138452;A917453

Chemical Property of 2-(4-Chlorophenyl)-2-fluoroacetic acid

Chemical Property:

• Melting Point: 61-63 °C(Solv: hexane (110-54-3))
• Boiling Point: 303.5±27.0 °C(Predicted)
• Density: 1.396±0.06 g/cm3(Predicted)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

95% ^*data from raw suppliers

2-(4-Chlorophenyl)-2-fluoroaceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)F)Cl

Technology Process of 2-(4-Chlorophenyl)-2-fluoroacetic acid

There total 5 articles about 2-(4-Chlorophenyl)-2-fluoroacetic 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: 53.0%

hypofluorous acid trifluoromethyl ester (373-91-1) + 4-(4-chlorobenzylidene)-2,2,6,6-tetramethyl-3,5-dioxa-2,6-disilaheptane (75581-01-0) → 4-chlorophenylacetic Acid (1878-66-6) + 4-chloro-α-fluorobenzeneacetic acid (74590-69-5)

Guidance literature:

In CFCl₃; hexane; water;

Reference yield:

C11H14ClFO2Si → 4-chloro-α-fluorobenzeneacetic acid (74590-69-5)

Guidance literature:

With water;

DOI:10.1021/ja00534a053

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 4-chloro-α-fluorobenzeneacetic acid (74590-69-5)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium diisopropylamide

2: CF₃Of

3: water

With hypofluorous acid trifluoromethyl ester; water; lithium diisopropyl amide;

DOI:10.1021/ja00534a053

upstream raw materials:

2-(4-Chlorophenyl)glycine

4-chlorophenylacetic Acid

4-(4-chlorobenzylidene)-2,2,6,6-tetramethyl-3,5-dioxa-2,6-disilaheptane

hypofluorous acid trifluoromethyl ester

Downstream raw materials:

(R)-(4-Chloro-phenyl)-fluoro-acetic acid (R)-1-phenyl-ethyl ester

(R)-(4-Chloro-phenyl)-fluoro-acetic acid (S)-1-phenyl-ethyl ester

(R)-(4-Chloro-phenyl)-fluoro-acetic acid (R)-2-methyl-1-phenyl-propyl ester

(R)-(4-Chloro-phenyl)-fluoro-acetic acid (S)-2-methyl-1-phenyl-propyl ester

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