2-(2-Chloro-4-fluorophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2-Chloro-4-fluorophenoxy)propanoic acid
• CAS No.: 1892-92-8
• Molecular Formula: C9H8ClFO3
• Molecular Weight: 218.61
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30397334
• Mol file: 1892-92-8.mol

Synonyms:2-(2-chloro-4-fluorophenoxy)propanoic acid;1892-92-8;SCHEMBL12667905;DTXSID30397334;BBL013927;MFCD03422227;STK411190;AKOS000103505;AKOS017258715;VS-04050;CS-0217503;FT-0706173;EN300-75614;Z65572154;2-(2-Chloro-4-fluorophenoxy)propanoic acid, AldrichCPR

Chemical Property of 2-(2-Chloro-4-fluorophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 9.92E-05mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 324.6°C at 760 mmHg
• Flash Point: 150.1°C
• PSA: 46.53000
• Density: 1.387g/cm³
• LogP: 2.33100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.0146000
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2-Chloro-4-fluorophenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)F)Cl
• Uses: 2-(2-Chloro-4-fluorophenoxy)propanoic Acid is a useful compound for phenoxyacetamide inhibitors.

Technology Process of 2-(2-Chloro-4-fluorophenoxy)propanoic acid

There total 2 articles about 2-(2-Chloro-4-fluorophenoxy)propanoic 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:

C11H12ClFO3 (947295-84-3) → 2-(2-chloro-4-fluorophenoxy)propanoic acid (1892-92-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1080/10426500701807566

Reference yield:

2-chloro-4-fluorophenol (1996-41-4) → 2-(2-chloro-4-fluorophenoxy)propanoic acid (1892-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 50 °C

2: sodium hydroxide; water / ethanol / 4 h / Reflux

With water; potassium carbonate; sodium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2015.01.011

Reference yield:

1,3-benzodioxol-5-ylmethyl amine (2620-50-0) + 2-(2-chloro-4-fluorophenoxy)propanoic acid (1892-92-8) → N-[3,4-(methylenedioxy)benzyl]-2-(2-chloro-4-fluorophenoxy)propanamide (1007956-28-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2015.01.011

upstream raw materials:

C₁₁H₁₂ClFO₃

2-chloro-4-fluorophenol

Downstream raw materials:

C₉H₇Cl₂FO₂

N-[3,4-(methylenedioxy)benzyl]-2-(2-chloro-4-fluorophenoxy)propanamide

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