4-Chloro-3-fluorophenylacetic acid

Base Information

• Chemical Name: 4-Chloro-3-fluorophenylacetic acid
• CAS No.: 883500-51-4
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2916399090
• European Community (EC) Number: 684-269-5
• Mol file: 883500-51-4.mol

Synonyms:4-Chloro-3-fluorophenylacetic acid;883500-51-4;2-(4-chloro-3-fluorophenyl)acetic acid;4-Chloro-3-fluorophenylaceticacid;MFCD04115861;SCHEMBL154404;QIYNMJFDEWFEKJ-UHFFFAOYSA-N;4-Chloro-3-fluorophenyl acetic acid;BBL103398;STL557208;(4-chloro-3-fluorophenyl)acetic acid;AKOS005064005;2-(4-chloro-3-fluorophenyl)aceticacid;AC-9785;AM62258;CS-W021404;PS-8436;(4-chloro-3-fluoro-phenyl)-acetic acid;SY041310;FT-0655420;FT-0692449;EN300-187773;A841715;J-515003

Chemical Property of 4-Chloro-3-fluorophenylacetic acid

Chemical Property:

• Melting Point: 88-91℃
• Boiling Point: 293.1 °C at 760 mmHg
• PKA: 3.97±0.10(Predicted)
• Flash Point: 131.1 °C
• PSA: 37.30000
• Density: 1.417 g/cm³
• LogP: 2.10620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-3-fluorophenylaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,E
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(=O)O)F)Cl

Technology Process of 4-Chloro-3-fluorophenylacetic acid

There total 1 articles about 4-Chloro-3-fluorophenylacetic 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: 79.0%

2-(4-chloro-3-fluorophenyl)acetonitrile (251570-03-3) → 2-(4-chloro-3-fluorophenyl)acetic acid (883500-51-4)

Guidance literature:

With sulfuric acid; water; In acetic acid; for 2h; Reflux;

Reference yield: 92.0%

2-(4-chloro-3-fluorophenyl)acetic acid (883500-51-4) → 2-(4-chloro-3-fluorophenyl)ethanol (206362-79-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2019.03.026

Reference yield: 78.0%

2-(4-chloro-3-fluorophenyl)acetic acid (883500-51-4) + allyl iodid (556-56-9) → C11H10ClFO2 (907209-13-6)

Guidance literature:

2-(4-chloro-3-fluorophenyl)acetic acid; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.5h;

allyl iodid; In tetrahydrofuran; at 20 ℃; for 3h; Further stages.;

DOI:10.1016/j.bmcl.2006.05.034

upstream raw materials:

2-(4-chloro-3-fluorophenyl)acetonitrile

Downstream raw materials:

2-(4-chloro-3-fluoro-phenyl)-1-(2-phenyl-piperidin-1-yl)-ethanone

C₁₁H₁₀ClFO₂

2-(4-chloro-3-fluorophenyl)acetyl chloride

(3-benzyloxy-4-chloro-phenyl)-acetic acid