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METHYL BROMO(4-FLUOROPHENYL)ACETATE is a chemical compound with the molecular formula C9H8BrFO2. It is a colorless to pale yellow liquid with a fruity odor and is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. METHYL BROMO(4-FLUOROPHENYL)ACETATE is known to be an effective reagent in organic synthesis reactions and is used in the manufacture of a wide range of products. Due to its flammable nature and potential to cause respiratory, skin, and eye irritation, it is important to handle and store METHYL BROMO(4-FLUOROPHENYL)ACETATE with caution in a cool, dry, and well-ventilated area away from incompatible materials.

71783-54-5

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71783-54-5 Usage

Uses

Used in Pharmaceutical Industry:
METHYL BROMO(4-FLUOROPHENYL)ACETATE is used as an intermediate in the synthesis of various pharmaceuticals for its effectiveness in organic synthesis reactions.
Used in Agrochemical Industry:
METHYL BROMO(4-FLUOROPHENYL)ACETATE is used as an intermediate in the synthesis of agrochemicals, contributing to the development of products for agricultural applications.
Used in Organic Compounds Synthesis:
METHYL BROMO(4-FLUOROPHENYL)ACETATE is used as a reagent in the synthesis of other organic compounds, playing a crucial role in the production of a wide range of products.

Check Digit Verification of cas no

The CAS Registry Mumber 71783-54-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,7,8 and 3 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 71783-54:
(7*7)+(6*1)+(5*7)+(4*8)+(3*3)+(2*5)+(1*4)=145
145 % 10 = 5
So 71783-54-5 is a valid CAS Registry Number.

71783-54-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-bromo-2-(4-fluorophenyl)acetate

1.2 Other means of identification

Product number -
Other names -

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:71783-54-5 SDS

71783-54-5Relevant academic research and scientific papers

Manganese/bipyridine-catalyzed non-directed C(sp3)–H bromination using NBS and TMSN3

Sneh, Kumar,Torigoe, Takeru,Kuninobu, Yoichiro

supporting information, p. 885 - 890 (2021/05/05)

A Mn(II)/bipyridine-catalyzed bromination reaction of unactivated aliphatic C(sp3)?H bonds has been developed using N-bromosuccinimide (NBS) as the brominating reagent. The reaction proceeded in moderate-to-good yield, even on a gram scale. The introduced bromine atom can be converted into fluorine and allyl groups.

Discovery of 2-oxy-2-phenylacetic acid substituted naphthalene sulfonamide derivatives as potent KEAP1-NRF2 protein-protein interaction inhibitors for inflammatory conditions

Lu, Meng-Chen,Shao, Hong-Li,Liu, Tian,You, Qi-Dong,Jiang, Zheng-Yu

supporting information, (2020/09/01)

Nuclear factor erythroid 2-related factor 2 (NRF2) is a pleiotropic transcription factor which regulates the constitutive and inducible transcription of a wide array of genes and confers protection against a variety of pathologies. Directly disrupting Kelch-like ECH-associated protein 1 (KEAP1)-NRF2 protein-protein interaction (PPI) has been explored as a promising strategy to activate NRF2. We reported here the first identification of a series of 2-oxy-2-phenylacetic acid substituted naphthalene sulfonamide derivatives as potent KEAP1-NRF2 inhibitors. Our efforts led to the potent small molecule KEAP1-NRF2 inhibitor, 20c, which exhibited a Kd of 24 nM to KEAP1 and an IC50 of 75 nM in disrupting KEAP1-NRF2 interaction. Subsequent biological studies provided consistent evidence across mouse macrophage cell-based and in vivo models that 20c induced NRF2 target gene expression and enhanced downstream antioxidant and anti-inflammatory activities. Our study not only demonstrated that small molecule KEAP1-NRF2 PPI inhibitors can be potential preventive and therapeutic agents for diseases and conditions involving oxidative stress and inflammation but also enriched the chemical diversity of the KEAP1-NRF2 inhibitors.

Bromination of α-Diazo Phenylacetate Derivatives Using Cobalt(II) Bromide

Wang, Haifeng,Sun, Xiangli,Hu, Manman,Zhang, Xiaoyi,Xie, Lele,Gu, Shuangxi

supporting information, p. 3347 - 3351 (2020/07/04)

A method for the bromination of α-diazo phenylacetate derivatives using cobalt(II) bromide is described. This bromination reaction features a short reaction time, broad substrate scope, operational simplicity, acid-free conditions, and gram-scalability. (Figure presented.).

Diastereo- And Enantioselective Synthesis of Quaternary α-Amino Acid Precursors by Copper-Catalyzed Propargylation

Zhu, Qiongqiong,Meng, Beibei,Gu, Congzheng,Xu, Ye,Chen, Jie,Lei, Chuanhu,Wu, Xiaoyu

supporting information, p. 9985 - 9989 (2019/12/24)

A diastereo- and enantioselective propargylic substitution reaction between propargylic carbonates and α-substituted nitroacetates catalyzed by a Cu-pybox complex is described. This method allows the preparation of a series of non-proteinogenic quaternary α-amino acid precursors featuring two contiguous stereogenic centers and a terminal alkyne moiety in high yields with good to excellent diastereo- and enantioselectivities in most cases. The propargylated adducts were elaborated into a diverse set of quaternary α-amino acid derivatives.

New 4-aryl-1,3,2-oxathiazolylium-5-olates: Chemical synthesis and photochemical stability of a novel series of S-nitrosothiols

Eilertsen, Monica,Allin, Steve M.,Pearson, Russell J.

, p. 1106 - 1110 (2018/02/28)

S-nitrosothiols (RSNOs) remain one of the most popular classes of NO-donating compounds due to their ability to release nitric oxide (NO) under non-enzymatic means whilst producing an inert disulphide by-product. However, alligning these compounds to the different biological fields of NO research has proved to be problematic due to the inherent instability of such compounds under a variety of conditions including heat, light and the presence of copper ions. 1,3,2-Oxathiazolylium-5-olates (OZOs) represent an interesting subclass of S-nitrosothiols that lock the –SNO moiety into a five membered heterocyclic ring in an attempt to improve the compound's overall stability. The synthesis of a novel series of halogen-containing OZOs was comprehensively studied resulting in a seven-step route and overall yields ranging between 21 and 37%. The photochemical stability of these compounds was assessed to determine if S-nitrosothiols locked within these mesoionic ring systems can offer greater stability and thereby release NO in a more controllable fashion than their non-cyclic counterparts.

Synthesis of Quinolines by Visible-Light Induced Radical Reaction of Vinyl Azides and α-Carbonyl Benzyl Bromides

Wang, Qile,Huang, Jun,Zhou, Lei

supporting information, p. 2479 - 2484 (2015/08/18)

A visible-light induced radical reaction of vinyl azides and α-carbonyl benzyl bromides was developed, which provides an efficient route to polysubstituted quinolines via a C-C and C-N bond formation sequence.

MINERALOCORTICOID RECEPTOR ANTAGONISTS

-

Page/Page column 51, (2012/08/07)

Disclosed are the compounds of the Formula (I) as well as pharmaceutically acceptable salts thereof, which are useful for treating aldosterone-mediated diseases. The processes for preparing compounds of the Formula (I), the use for the therapy and prophyl

PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF

-

Page/Page column 12, (2010/11/17)

To provide a novel process for producing a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound or an intermediate thereof useful as an intermediate for production of medicines and agricultural chemicals. A 2-aryl acetate compound represented by the formula (1): wherein R1 is an aryl group or the like, R4 is a C1-3 alkyl group or the like, and X is a leaving group, is reacted with a thioacetic acid compound to form a thioacetyl compound (3), the thioacetyl compound (3) is reacted with a vinyl ketone compound to form a γ-ketosulfide compound (5), which is cyclized under basic conditions to form a dihydrothiophene compound (6), and the dihydrothiophene compound (6) is oxidized by using an oxidizing agent to produce a 2-aryl-3-hydroxy-4-substituted carbonyl thiophene compound (7).

Imidazolidinone Derivatives as 11B-HSD1 Inhibitors

-

Page/Page column 25, (2009/12/02)

Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein A and R1 to R4 have the significance given in claim 1 can be used in the form of pharmaceutical compositions.

Hepatoselectivity of statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors

Park, William K.C.,Kennedy, Robert M.,Larsen, Scott D.,Miller, Steve,Roth, Bruce D.,Song, Yuntao,Steinbaugh, Bruce A.,Sun, Kevin,Tait, Bradley D.,Kowala, Mark C.,Trivedi, Bharat K.,Auerbach, Bruce,Askew, Valerie,Dillon, Lisa,Hanselman, Jeffrey C.,Lin, Zhiwu,Lu, Gina H.,Robertson, Andrew,Sekerke, Catherine

, p. 1151 - 1156 (2008/09/19)

4-Sulfamoyl pyrroles were designed as novel hepatoselective HMG-CoA reductase inhibitors (statins) to reduce myalgia, a statin-induced adverse effect. The compounds were prepared via a [3 + 2] cycloaddition of a Muenchnone with a sulfonamide-substituted alkyne. We identified compounds with greater selectivity for hepatocytes compared to L6-myocytes than rosuvastatin and atorvastatin. There was an inverse correlation of myocyte potencies and C log P values. A number of analogs were effective at reducing cholesterol in acute and chronic in vivo models but they lacked sufficient chronic in vivo activity to warrant further development.

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