2-Anilinophenylacetic acid

Base Information

• Chemical Name: 2-Anilinophenylacetic acid
• CAS No.: 70172-33-7
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• Hs Code.: 2922499990
• European Community (EC) Number: 626-717-4
• DSSTox Substance ID: DTXSID20357543
• Nikkaji Number: J341.703D
• Wikidata: Q82137496
• ChEMBL ID: CHEMBL78188
• Mol file: 70172-33-7.mol

Synonyms:2-anilinophenylacetic acid

Chemical Property of 2-Anilinophenylacetic acid

Chemical Property:

• Vapor Pressure: 2.29E-07mmHg at 25°C
• Melting Point: 89-93 °C(lit.)
• Boiling Point: 407.4 °C at 760 mmHg
• PKA: 4.14±0.10(Predicted)
• Flash Point: 200.2 °C
• PSA: 49.33000
• Density: 1.242 g/cm³
• LogP: 3.13030
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

2-Anilinophenylacetic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2CC(=O)O
• Uses: Biologically active molecule with potential anticonvulsant properties 1 Reactant for: Friedel-Crafts cyclization reactions. Biologically active molecule with potential anticonvulsant propertiesReactant for:Friedel-Crafts cyclization reactions

Technology Process of 2-Anilinophenylacetic acid

There total 14 articles about 2-Anilinophenylacetic 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: 90.0%

1-phenyl-1,3-dihydro-indol-2-one (3335-98-6) → 2-[2-(phenylamino)phenyl]acetic acid (70172-33-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1016/j.ejmech.2006.03.013

Reference yield:

diclofenac sodium (15307-79-6) → 2-[2-(phenylamino)phenyl]acetic acid (70172-33-7)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; at 20 ℃; for 22h;

DOI:10.1016/j.tet.2006.05.025

Reference yield:

diphenylamine (122-39-4) → 2-[2-(phenylamino)phenyl]acetic acid (70172-33-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 98 percent / 2 h / 20 °C

2: 83 percent / AlCl₃ / CS₂ / 2 h / 20 °C

3: 58 percent / hydrazine hydrate / ethanol / 6 h / Heating

4: 90 percent / aq. NaOH / ethanol / 4 h / Heating

With sodium hydroxide; aluminium trichloride; hydrazine hydrate; In carbon disulfide; ethanol; 3: Wolff-Kishner reduction;

DOI:10.1016/j.ejmech.2006.03.013

upstream raw materials:

1-phenyl-1,3-dihydro-indol-2-one

diclofenac sodium

1-phenyl-indole-2,3-dione

2-chloro-N,N-diphenylacetamide

Downstream raw materials:

1-phenyl-1,3-dihydro-indol-2-one

2-[2-(phenylamino)phenyl]acetyl chloride

Refernces

• 1、 Fu, Yongsheng,Liu, Yiqing,Zhang, Li. "Degradation kinetics and mechanism of diclofenac by UV/peracetic acid". . p. 9907 - 9916. Retrieved 2020/03/23.
• 2、 Monguchi, Yasunari,Kume, Akira,Hattori, Kazuyuki,Maegawa, Tomohiro,Sajiki, Hironao. "Pd/C-Et3N-mediated catalytic hydrodechlorination of aromatic chlorides under mild conditions". . p. 7926 - 7933. Retrieved 2007/10/03.