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445-29-4

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445-29-4 Usage

Description

2-Fluorobenzoic acid is a fluorobenzoic acid derivative, characterized by a benzoic acid structure with a fluoro substituent at the 2nd position. It is a white to light yellow crystal powder, exhibiting solubility in organic solvents such as benzene, toluene, ketone, and ether. 2-Fluorobenzoic acid can be further transformed into 2-fluorobenzoyl chloride through a reaction with an acid chloride agent like SOCl2 or PCl3.

Uses

Used in Pharmaceutical Industry:
2-Fluorobenzoic acid is used as an intermediate in the synthesis of various pharmaceutical compounds, including the fungicide trifluazol and meclofenamic acid. Its unique chemical structure contributes to the development of these medications, enhancing their efficacy and properties.
Used in Organic Chemistry:
2-Fluorobenzoic acid serves as an essential organic chemical synthesis intermediate, playing a crucial role in the preparation of complex organic molecules and compounds. One such application is in the synthesis of zaragozic acid A analogs, which are of interest due to their potential biological activities and therapeutic applications.
Used in Chemical Research:
As a 2-halobenzoic acid, 2-fluorobenzoic acid is valuable in chemical research for understanding the effects of fluorine substitution on the properties and reactivity of benzoic acid derivatives. This knowledge can be applied to the design and development of new compounds with specific characteristics and applications in various fields, including materials science, pharmaceuticals, and agrochemicals.

Preparation

The preparation of 2-fluorobenzoic acid is based on anthranilic acid as raw material, adding anhydrous hydrogen fluoride and sodium nitrite in methoxyethyl methyl ether solvent for diazotization, refluxing for 3 hours, and post-processing to obtain the finished product.

Purification Methods

Crystallise the acid from 50% aqueous EtOH, dilute HCl or *C6H6, then purify it by zone melting or vacuum sublimation at 130-140o. [Beilstein 9 H 333. 9 III 1324, 9 IV 950.]

Check Digit Verification of cas no

The CAS Registry Mumber 445-29-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,4 and 5 respectively; the second part has 2 digits, 2 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 445-29:
(5*4)+(4*4)+(3*5)+(2*2)+(1*9)=64
64 % 10 = 4
So 445-29-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1

445-29-4 Well-known Company Product Price

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  • Alfa Aesar

  • (A11015)  2-Fluorobenzoic acid, 98+%   

  • 445-29-4

  • 100g

  • 941.0CNY

  • Detail
  • Alfa Aesar

  • (A11015)  2-Fluorobenzoic acid, 98+%   

  • 445-29-4

  • 500g

  • 3983.0CNY

  • Detail

445-29-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-fluorobenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid, 2-fluoro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:445-29-4 SDS

445-29-4Relevant articles and documents

Milled Dry Ice as a C1 Source for the Carboxylation of Aryl Halides

O'Brien, Connor J.,Nicewicz, David A.

supporting information, p. 814 - 816 (2021/03/01)

The use of carbon dioxide as a C1 chemical feedstock remains an active field of research. Here we showcase the use of milled dry ice as a method to promote the availability of CO 2in a reaction solution, permitting practical synthesis of arylcarboxylic acids. Notably, the use of milled dry ice produces marked increases in yields relative to those obtained with gaseous CO 2, as previously reported in the literature.

Oxidative α-C-C Bond Cleavage of 2° and 3° Alcohols to Aromatic Acids with O2at Room Temperature via Iron Photocatalysis

Zhang, Zongnan,Zhang, Guoxiang,Xiong, Ni,Xue, Ting,Zhang, Junjie,Bai, Lu,Guo, Qinyue,Zeng, Rong

supporting information, p. 2915 - 2920 (2021/05/05)

The selective α-C-C bond cleavage of unfunctionalized secondary (2°) and tertiary alcohols (3°) is essential for valorization of macromolecules and biopolymers. We developed a blue-light-driven iron catalysis for aerobic oxidation of 2° and 3° alcohols to acids via α-C-C bond cleavages at room temperature. The first example of oxygenation of the simple tertiary alcohols was reported. The iron catalyst and blue light play critical roles to enable the formation of highly reactive O radicals from alcohols and the consequent two α-C-C bond cleavages.

Photo-induced deep aerobic oxidation of alkyl aromatics

Wang, Chang-Cheng,Zhang, Guo-Xiang,Zuo, Zhi-Wei,Zeng, Rong,Zhai, Dan-Dan,Liu, Feng,Shi, Zhang-Jie

, p. 1487 - 1492 (2021/07/10)

Oxidation is a major chemical process to produce oxygenated chemicals in both nature and the chemical industry. Presently, the industrial manufacture of benzoic acids and benzene polycarboxylic acids (BPCAs) is mainly based on the deep oxidation of polyalkyl benzene, which is somewhat suffering from environmental and economical disadvantage due to the formation of ozone-depleting MeBr and corrosion hazards of production equipment. In this report, photo-induced deep aerobic oxidation of (poly)alkyl benzene to benzene (poly)carboxylic acids was developed. CeCl3 was proved to be an efficient HAT (hydrogen atom transfer) catalyst in the presence of alcohol as both hydrogen and electron shuttle. Dioxygen (O2) was found as a sole terminal oxidant. In most cases, pure products were easily isolated by simple filtration, implying large-scale implementation advantages. The reaction provides an ideal protocol to produce valuable fine chemicals from naturally abundant petroleum feedstocks. [Figure not available: see fulltext.].

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