2-(5-Chloro-2-phenoxyphenyl)acetic acid

Base Information

• Chemical Name: 2-(5-Chloro-2-phenoxyphenyl)acetic acid
• CAS No.: 70958-20-2
• Molecular Formula: C14H11ClO3
• Molecular Weight: 262.693
• Hs Code.: 2918990090
• ChEMBL ID: CHEMBL29360
• DSSTox Substance ID: DTXSID70509338
• Wikidata: Q72456451
• Mol file: 70958-20-2.mol

Synonyms:2-(5-chloro-2-phenoxyphenyl)acetic acid;70958-20-2;5-Chloro-2-phenoxyphenylacetic acid;(5-chloro-2-phenoxyphenyl)acetic acid;C14H11ClO3;MFCD07368830;Benzeneacetic acid, 5-chloro-2-phenoxy-;(5-Chloro-2-phenoxy-phenyl)-acetic acid;CHEMBL29360;SCHEMBL7400584;DTXSID70509338;PKMKNEIUKHPJAX-UHFFFAOYSA-N;BCP10018;CS-M0225;AKOS005073388;LA-0005;AC-31043;SY046588;A9324;AM20041058;FT-0681172;A1-00092;J-506123

Chemical Property of 2-(5-Chloro-2-phenoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 5.96E-07mmHg at 25°C
• Melting Point: 123-125°C
• Refractive Index: 1.605
• Boiling Point: 395.1 °C at 760 mmHg
• Flash Point: 192.7 °C
• PSA: 46.53000
• Density: 1.317 g/cm³
• LogP: 3.75940
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.0396719
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

99.00% ^*data from raw suppliers

2-(5-Chloro-2-phenoxyphenyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)CC(=O)O

Technology Process of 2-(5-Chloro-2-phenoxyphenyl)acetic acid

There total 7 articles about 2-(5-Chloro-2-phenoxyphenyl)acetic 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: 67.1%

5-chloro-2-phenoxyacetophenone (70958-18-8) → 5-chloro-2-phenoxyphenylacetic acid (70958-20-2)

Guidance literature:

5-chloro-2-phenoxyacetophenone; With morpholine; sulfur; at 110 ℃; for 12h;

With hydrogenchloride; acetic acid; In water; for 8h; Reflux;

Reference yield:

2,5-dichloroacetophenone (2476-37-1) → 5-chloro-2-phenoxyphenylacetic acid (70958-20-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / K₂CO₃, Cu / 10 h / Heating

2: 1.) morpholine, sulfur, 2.) glacial acetic acid, conc. aq. HCl / 1.) reflux, 12 h, 2.) reflux, 8 h

With morpholine; hydrogenchloride; copper; potassium carbonate; sulfur; acetic acid;

DOI:10.1021/jm00349a018

Reference yield:

4-[2-(5-chloro-2-phenoxyphenyl)-1-thioxoethyl]morpholine (70958-19-9) → 5-chloro-2-phenoxyphenylacetic acid (70958-20-2)

Guidance literature:

With potassium hydroxide; In methanol; for 72h; Heating;

DOI:10.1021/jm00364a004

upstream raw materials:

5-chloro-2-phenoxyacetophenone

4-[2-(5-chloro-2-phenoxyphenyl)-1-thioxoethyl]morpholine

2,5-dichloroacetophenone

phenol

Downstream raw materials:

trans-8-chloro-10,11-dihydro-11-[(methylamino)methyl]-dibenz[b,f]oxepin-10-carboxylic acid

cis-11-chloro-2,3,3a,12btetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

trans-11-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

11-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

Refernces

• 1、 Atkinson, David C.,Godfrey, Keith E.,Meek, Bernard,Saville, John F.,Stillings, Michael R.. "Substituted (2-Phenoxyphenyl)acetic Acids with Antiinflammatory Activity. 1". . p. 1353 - 1360. Retrieved 2007/10/02.
• 2、 -. "Coated 1-(2-chlorodibenzo[b,f]oxepin-10-yl)-4-methylpiperazine compositions". . . Retrieved 2008/06/13.