4-Phenoxyphenylacetic acid

Base Information

• Chemical Name: 4-Phenoxyphenylacetic acid
• CAS No.: 6328-74-1
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• Hs Code.: 29189900
• European Community (EC) Number: 626-215-5
• NSC Number: 43857
• DSSTox Substance ID: DTXSID80979361
• Wikidata: Q69758043
• Mol file: 6328-74-1.mol

Synonyms:4-Phenoxyphenylacetic acid;6328-74-1;2-(4-Phenoxyphenyl)acetic acid;(4-phenoxy-phenyl)-acetic acid;4-(phenoxy)phenylacetic acid;Benzeneacetic acid, 4-phenoxy-;p-Phenyloxyphenylacetic Acid;MFCD00079779;(4-phenoxyphenyl)acetic acid;4-PhenoxyphenylaceticAcid;NSC43857;4-phenoxy-phenylacetic acid;(4'-phenoxyphenyl)acetic acid;(4phenoxy-phenyl)-acetic acid;SCHEMBL1145770;DTXSID80979361;4-Phenoxyphenylacetic acid, 97%;VARVNFDGRLLTCI-UHFFFAOYSA-N;NSC-43857;AKOS002392972;CS-W010407;AC-26157;SY023520;TS-00578;AM20040916;BB 0248973;FT-0636095;EN300-1865606;J-515925

Chemical Property of 4-Phenoxyphenylacetic acid

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 1.59E-06mmHg at 25°C
• Melting Point: 72-79 °C
• Refractive Index: 1.596
• Boiling Point: 382.3 °C at 760 mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 146 °C
• PSA: 46.53000
• Density: 1.217 g/cm³
• LogP: 3.10600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

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

p-Phenyloxyphenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,Xi
• Hazard Codes: Xn,N,Xi
• Statements: 22-50
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)O
• Uses: p-Phenyloxyphenylacetic Acid is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline (A621350). 4-PHENOXYPHENYLACETIC ACID is an arylaliphatic acid used in the preperation of protential inhibitors of collagen-induced aggregation of human thrombocytes. p-Phenyloxyphenylacetic Acid is a predicted metabolite of 6-Amino-4-(4-phenoxyphenylethylamino)quinazoline.

Technology Process of 4-Phenoxyphenylacetic acid

There total 15 articles about 4-Phenoxyphenylacetic 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: 76.0%

thallium(III) nitrate trihydrate + 4-phenoxyacetophenone (5031-78-7) → 4-phenoxyphenylacetic acid (6328-74-1)

Guidance literature:

With trifluorormethanesulfonic acid; In methanol;

Reference yield: 71.0%

carbon dioxide (124-38-9,18923-20-1) + C13H12N2O → 4-phenoxyphenylacetic acid (6328-74-1)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; caesium carbonate; cesium fluoride; In N,N-dimethyl-formamide; at 80 ℃; for 24h; under 760.051 Torr; chemoselective reaction;

DOI:10.1039/c8sc01299g

Reference yield: 70.0%

C16H13Cl3O3 (1255911-44-4) → 4-phenoxyphenylacetic acid 2-deuterio-2,2-dichloroethyl ester (1255911-55-7) + 4-phenoxyphenylacetic acid (6328-74-1)

Guidance literature:

With indium; deuterated ammonium chloride; In tetrahydrofuran-d8; water-d2; at 20 ℃; for 110h; chemoselective reaction; Reflux;

DOI:10.1016/j.tetlet.2010.09.039

upstream raw materials:

p-phenoxyphenylacetamide

1-cyanomethyl-4-phenoxybenzene

p-phenoxyphenylacetic acid thiomorpholide

morpholine

Downstream raw materials:

p-phenoxyphenylacetamide

ethyl 2-(4-phenoxyphenyl)acetate

1-(2-bromoethyl)-4-phenoxybenzene

Refernces

• 1、 Liao, Li-Li,Cao, Guang-Mei,Ye, Jian-Heng,Sun, Guo-Quan,Zhou, Wen-Jun,Gui, Yong-Yuan,Yan, Si-Shun,Shen, Guo,Yu, Da-Gang. "Visible-Light-Driven External-Reductant-Free Cross-Electrophile Couplings of Tetraalkyl Ammonium Salts". supporting information. p. 17338 - 17342. Retrieved 2019/01/04.
• 2、 -. "Barbituric acid derivatives with antimetastatic and antitumor activity". Page column 14. . Retrieved 2010/01/21.