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394-35-4

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394-35-4 Usage

Chemical Properties

Colorless liquid

Uses

Methyl 2-fluorobenzoate may be used to synthesize 2-fluoro-α-methylstyrene and 2-fluorophenyldiphenylmethanol.

Synthesis Reference(s)

Synthetic Communications, 21, p. 2377, 1991 DOI: 10.1080/00397919108021598

General Description

Methyl 2-fluorobenzoate is an ortho-halogen-substituted methyl benzoate ester. It reacts with hydrazide to afford 2-fluorobenzoic hydrazide. Methyl 2-fluorobenzoate undergoes enzymatic dihydroxylation via the whole-cell fermentation in the presence of Escherichia coli JM109 (pDTG601A) to afford a diol.

Check Digit Verification of cas no

The CAS Registry Mumber 394-35-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,9 and 4 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 394-35:
(5*3)+(4*9)+(3*4)+(2*3)+(1*5)=74
74 % 10 = 4
So 394-35-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3

394-35-4 Well-known Company Product Price

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  • Alfa Aesar

  • (A16133)  Methyl 2-fluorobenzoate, 98%   

  • 394-35-4

  • 5g

  • 313.0CNY

  • Detail
  • Alfa Aesar

  • (A16133)  Methyl 2-fluorobenzoate, 98%   

  • 394-35-4

  • 25g

  • 1037.0CNY

  • Detail

394-35-4SDS

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 Methyl 2-Fluorobenzoate

1.2 Other means of identification

Product number -
Other names METHYL 2-FLUOROBENZOATE

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:394-35-4 SDS

394-35-4Relevant articles and documents

Design, synthesis, modelling studies and biological evaluation of 1,3,4-oxadiazole derivatives as potent anticancer agents targeting thymidine phosphorylase enzyme

Bajaj, Shalini,Kumar, Maushmi S.,Tinwala, Hussain,YC, Mayur

, (2021/04/12)

A series of novel 1,3,4-oxadiazole derivatives with substituted phenyl ring were designed and synthesized with an objective of discovering newer anti-cancer agents targeting thymidine phosphorylase enzyme (TP). The 1,3,4-oxadiazole derivatives were synthesized by simple and convenient methods in the lab. Chemical structure of the all the synthesized compounds were characterized by IR, 1H NMR and mass spectral methods and evaluated for cytotoxicity by MTT method against two breast cancer cell lines (MCF-7 and MDA-MB-231). Further, results of TP assay identified that 1,3,4-oxadiazole molecules displayed anti-cancer activity partially by inhibition of phosphorylation of thymidine. The TP assay identified SB8 and SB9 as potential inhibitors with anti-cancer activity against both the cell lines. The molecular docking studies recognized the orientation and binding interaction of molecule at the active site amino acid residues of TP (PDB: 1UOU). Acute toxicity studies of compound SB8 at the dose of 5000 mg/kg has identified no signs of clinical toxicity was observed. The SARs study of synthesized derivatives revealed that the substitution of phenyl ring with electron withdrawing group at ortho position showed significant TP inhibitory activity compared to para substitution. The experimental data suggests that 1,3,4-oxadiazole with substituted phenyl can be taken as a lead for the design of efficient TP inhibitors and active compounds which can be taken up for further studies.

Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction

Zhou, Wenjuan,Xu, Chenhao,Dong, Guanjun,Qiao, Hui,Yang, Jing,Liu, Hongmin,Ding, Lina,Sun, Kai,Zhao, Wen

, (2021/03/24)

Defective in cullin neddylation 1(DCN1) is a co-E3 ligase that is important for cullin neddylation. Dysregulation of DCN1 highly correlates with the development of various cancers. Herein, from the initial high-throughput screening, a novel hit compound 5a containing a phenyltriazole thiol core (IC50 value of 0.95 μM for DCN1-UBC12 interaction) was discovered. Further structure-based optimization leads to the development of SK-464 (IC50 value of 26 nM). We found that SK-464 not only directly bound to DCN1 in vitro, but also engaged cellular DCN1, suppressed the neddylation of cullin3, and hindered the migration and invasion of two DCN1-overexpressed squamous carcinoma cell lines (KYSE70 and H2170). These findings indicate that SK-464 may be a novel lead compound targeting DCN1-UBC12 interaction.

Facile synthesis of a highly efficient Co/Cu@NC catalyst for base-free oxidation of alcohols to esters

Jiang, Jiusheng,Li, Xiang,Du, Shengyu,Shi, Langchen,Jiang, Pingping,Zhang, Pingbo,Dong, Yuming,Leng, Yan

, p. 7780 - 7785 (2020/06/09)

The direct oxidation of alcohols to esters is an environmentally benign and cost-effective organic synthetic strategy, but it is still a great challenge to discover an economic, highly active, and long-term stable catalyst for efficient transformation of alcohols to esters under milder conditions. Herein, we developed cobalt and copper nanoparticle -co-decorated nitrogen-doped carbon catalysts (CoCu@NCn) through two steps of ball milling and calcination. It was found that CoCu@NCn could catalyze the oxidation of alcohols to esters effectively in the absence of basic additives. The catalytic activity was much higher than those of monometallic Co@NC2 and Cu@NC2 samples, and the catalyst can be conveniently recovered and quite steadily reused. Through a series of control experiments and characterizations, it is concluded that the remarkable catalytic performance of CoCu@NC2 was associated with the synergistic effect between the two metal components, the enhanced basic active sites and the active surface area.

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