5-Fluoro-2-nitrophenylacetic acid

Base Information

• Chemical Name: 5-Fluoro-2-nitrophenylacetic acid
• CAS No.: 29640-98-0
• Molecular Formula: C8H6 F N O4
• Molecular Weight: 199.138
• Hs Code.: 2916399090
• European Community (EC) Number: 642-618-9
• DSSTox Substance ID: DTXSID20439232
• Nikkaji Number: J1.444.577C
• Wikidata: Q72475368
• Mol file: 29640-98-0.mol

Synonyms:29640-98-0;5-Fluoro-2-nitrophenylacetic acid;(5-fluoro-2-nitrophenyl)acetic acid;2-(5-fluoro-2-nitrophenyl)acetic acid;(5-fluoro-2-nitro-phenyl)-acetic acid;Benzeneacetic acid, 5-fluoro-2-nitro-;MFCD07787601;5-fluoro-2-nitrophenylaceticacid;(5-Fluoro-2-nitrophenyl)aceticacid;2-nitro-5-fluoro phenyl acetic acid;SCHEMBL3396060;DTXSID20439232;HOWBVGXZCYNPOU-UHFFFAOYSA-N;2-nitro-5-fluoro phenylacetic acid;5-fluoro-2-nitro-phenylacetic acid;BCP05240;(2-Nitro-5-fluorophenyl)acetic acid;AKOS005257614;AM84161;CS-W005783;GS-4145;SY003032;F1140;FT-0647621;EN300-187986

Chemical Property of 5-Fluoro-2-nitrophenylacetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 154-156°C
• Refractive Index: 1.575
• Boiling Point: 343.6°Cat760mmHg
• PKA: 3.74±0.10(Predicted)
• Flash Point: 161.6°C
• PSA: 83.12000
• Density: 1.498g/cm³
• LogP: 1.88420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 199.02808583
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

98% ^*data from raw suppliers

5-Fluoro-2-nitrophenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CC(=O)O)[N+](=O)[O-]
• Uses: 5-Fluoro-2-nitrophenylacetic acid is a useful research chemical.

Technology Process of 5-Fluoro-2-nitrophenylacetic acid

There total 5 articles about 5-Fluoro-2-nitrophenylacetic 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: 95.0%

(3-fluorophenyl)acetic acid (331-25-9) → (5-Fluoro-2-nitro-phenyl)-acetic Acid (29640-98-0)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 2h;

DOI:10.1021/jo00125a026

Reference yield: 90.0%

methyl 2-(5-fluoro-2-nitrophenyl)acetate (29640-99-1) → (5-Fluoro-2-nitro-phenyl)-acetic Acid (29640-98-0)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1021/jo00125a026

Reference yield: 87.0%

2-(3-methylphenyl)ethanol (1875-89-4) → (5-Fluoro-2-nitro-phenyl)-acetic Acid (29640-98-0)

Guidance literature:

With ammonium nitrate; trifluoroacetic anhydride; In chloroform; at 0 ℃; for 3h;

upstream raw materials:

methyl 2-(5-fluoro-2-nitrophenyl)acetate

(3-fluorophenyl)acetic acid

methyl (3-fluorophenyl)acetate

2-(3-methylphenyl)ethanol

Downstream raw materials:

(S)-{(R)-2-[2-(5-Fluoro-2-nitro-phenyl)-acetylamino]-3-phenyl-propionylamino}-(3-isopropoxy-5-methoxy-phenyl)-acetic acid methyl ester

5-fluoroindol-2(3H)-one

methyl 2-(5-fluoro-2-nitrophenyl)acetate

Refernces

• 1、 -. "Heterocyclic substituted piperazines for the treatment of schizophrenia". Page/Page column 19. . Retrieved 2010/02/06.
• 2、 Zhu, Jieping,Beugelmans, Rene,Bourdet, Sebastien,Chastanet, Jacqueline,Roussi, George. "A Convergent Synthesis of 14-Membered F-O-G Ring Analogs of the Teicoplanin Binding Pocket via Intramolecular SNAr Reaction". . p. 6389 - 6396. Retrieved 2007/10/03.