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2-BROMO-3-PHENYL-PROPIONIC ACID, with the chemical formula C9H9BrO2, is a white solid compound that is a derivative of propionic acid. It is used in the synthesis of pharmaceuticals and other organic compounds due to its unique chemical properties.

16503-53-0

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16503-53-0 Usage

Uses

Used in Pharmaceutical Industry:
2-BROMO-3-PHENYL-PROPIONIC ACID is used as an intermediate in the synthesis of anti-inflammatory and analgesic drugs. Its unique structure allows it to be a key component in the development of medications that help alleviate pain and reduce inflammation.
Used in Organic Chemistry:
2-BROMO-3-PHENYL-PROPIONIC ACID is used as a building block in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable precursor in the creation of a wide range of chemical products.
Safety Precautions:
It is important to handle 2-BROMO-3-PHENYL-PROPIONIC ACID with care, as it may be harmful if ingested or inhaled. Additionally, it can cause irritation to the skin and eyes upon contact, so proper protective measures should be taken during its use and storage.

Check Digit Verification of cas no

The CAS Registry Mumber 16503-53-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,5,0 and 3 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 16503-53:
(7*1)+(6*6)+(5*5)+(4*0)+(3*3)+(2*5)+(1*3)=90
90 % 10 = 0
So 16503-53-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)

16503-53-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-bromo-3-phenylpropanoic acid

1.2 Other means of identification

Product number -
Other names 2-BPP

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:16503-53-0 SDS

16503-53-0Relevant academic research and scientific papers

Direct synthesis of α-thio aromatic acids from aromatic amino acids

Samuels, Eric R.,Sevrioukova, Irina F.

, p. 1140 - 1142 (2018)

Modified amino acids are useful synthetic components in both chemistry and biology. Here we describe a simple, scalable two-step procedure to generate α-thio aromatic acids from aromatic amino acids with yields of up to 96%. Diazotization and α-lactone me

Crystallization-induced chiral inversion as the key step for synthesis of (S)-2-acetylthio-3-phenylpropanoic acid from L-phenylalanine

Chen, Jason G.,Zhu, Jingyang,Skonezny, Paul M.,Rosso, Victor,Venit, John J.

, p. 3233 - 3235 (2004)

(Chemical Equation Presented) A novel crystallization-induced chiral inversion of (S)-2-bromo-3-phenylpropanoic acid to its (R)-enantiomer with excellent enantiomeric excess (96-99%) is achieved. Optically pure (S)-2-acetylthio-3-phenylpropanoic acid can

Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones

Jiao, Lihui,Bu, Liwei,Ye, Xinyi,Zhao, Xiaowei,Jiang, Zhiyong

, p. 9620 - 9629 (2016)

This work reports the first application of diarylthiazolidin-2,4-diones as nucleophiles in asymmetric catalysis. By utilizing chiral amino acid-based (thio)urea-tertiary amines as the catalysts, we successively established asymmetric conjugate addition to nitroolefins and sulfenylation to N-(sulfanyl)-succinimides of diarylthiazolidin-2,4-diones. Two series of biologically important 5-aryl-5-substituted thiazolidin-2,4-diones were obtained with high enantio- and diastereoselectivities (up to >99% ee and >19:1 dr). The enantioenriched adducts were found to show satisfactory anticancer activities against three different cancer cell lines using the MTT assay. All of these successes depended on the development of a general and expedient synthetic strategy to provide diverse 5H-thiazolidin-2,4-diones.

Efficient synthesis of 5-(hydroxymethyl)piperazin-2-ones using automatically prepared chiral bromocarboxylic acid and Garner's aldehyde as versatile building blocks

Masui, Hisashi,Naito, Kohei,Minoshima, Mai,Kusayanagi, Akira,Yosugi, Sae,Shoji, Mitsuru,Takahashi, Takashi

supporting information, (2021/05/04)

An efficient method for the synthesis of substituted 5-(hydroxymethyl)piperazin-2-ones was established by using an automated synthesis process. Thirteen piperazinones were synthesized from chiral α-bromocarboxylic acids and Garner's aldehyde which were prepared by using our originally developed automated synthesizer, ChemKonzert. The automated method of synthesizing chiral α-bromocarboxylic acids was efficient and safe because the rate of the dropwise addition of the reagent can be controlled using the automated synthesizer. This method is expected to contribute to the synthesis of pharmaceuticals.

ANTIVIRAL COMPOUNDS

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Paragraph 085; 086; 087, (2019/04/27)

The present invention relates to novel compounds of general formula (I) wherein R1 to R4 and n have the meanings given in the description and claims, process for preparing these compounds and their use as for treating, preventing or ameliorating viral infections and their use for treating, preventing or ameliorating diseases which are associated with PLA2G16.

NiH-Catalyzed Remote Asymmetric Hydroalkylation of Alkenes with Racemic α-Bromo Amides

Zhou, Fang,Zhang, Yao,Xu, Xianfeng,Zhu, Shaolin

supporting information, p. 1754 - 1758 (2019/01/19)

Reported here is a terminal-selective, remote asymmetric hydroalkylation of olefins with racemic α-bromo amides. The reaction proceeds by NiH-catalyzed alkene isomerization and subsequent alkylation reaction, and can enantioconvergently introduce an unsymmetrical secondary alkyl group from a racemic α-bromo amide onto a terminal C(sp3)?H position along the hydrocarbon chain of the alkene. This mild process affords a range of structurally diverse chiral α-alkylalkanoic amides in excellent yields, and high regio- and enantioselectivities. In addition, the synthetic utility of this protocol is further highlighted by the regioconvergent conversion of industrial raw materials of isomeric olefin mixtures into enantioriched α-alkylalkanoic amides on large scale.

Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer

Xue, Xiaoqian,Zhang, Yan,Wang, Chao,Zhang, Maofeng,Xiang, Qiuping,Wang, Junjian,Wang, Anhui,Li, Chenchang,Zhang, Cheng,Zou, Lingjiao,Wang, Rui,Wu, Shuang,Lu, Yongzhi,Chen, Hongwu,Ding, Ke,Li, Guohui,Xu, Yong

supporting information, p. 542 - 559 (2018/05/24)

The bromodomain and extra-terminal proteins (BET) have emerged as promising therapeutic targets for the treatment of castration-resistant prostate cancer (CRPC). We report the design, synthesis and evaluation of a new series of benzoxazinone-containing 3,5-dimethylisoxazole derivatives as selective BET inhibitors. One of the new compounds, (R)-12 (Y02234), binds to BRD4(1) with a Kd value of 110 nM and blocks bromodomain and acetyl lysine interactions with an IC50 value of 100 nM. It also exhibits selectivity for BET over non-BET bromodomain proteins and demonstrates reasonable anti-proliferation and colony formation inhibition effect in prostate cancer cell lines such as 22Rv1 and C4-2B. The BRD4 inhibitor (R)-12 also significantly suppresses the expression of ERG, Myc and AR target gene PSA at the mRNA level in prostate cancer cells. Treatment with (R)-12 significantly suppresses the tumor growth of prostate cancer (TGI = 70%) in a 22Rv1-derived xenograft model. These data suggest that compound (R)-12 is a promising lead compound for the development of a new class of therapeutics for the treatment of CRPC.

Cobalt-Catalyzed Enantioselective Negishi Cross-Coupling of Racemic α-Bromo Esters with Arylzincs

Liu, Feipeng,Zhong, Jiangchun,Zhou, Yun,Gao, Zidong,Walsh, Patrick J.,Wang, Xueyang,Ma, Sijie,Hou, Shicong,Liu, Shangzhong,Wang, Minan,Wang, Min,Bian, Qinghua

supporting information, p. 2059 - 2064 (2018/02/14)

The first cobalt-catalyzed enantioselective Negishi cross-coupling reaction, and the first arylation of α-halo esters with arylzinc halides, are disclosed. Employing a cobalt-bisoxazoline catalyst, various α-arylalkanoic esters were synthesized in excellent enantioselectivities and yields (up to 97 % ee and 98 % yield). A diverse range of functional groups, including ether, halide, thioether, silyl, amine, ester, acetal, amide, olefin and heteroaromatics is tolerated by this method. This method was suitable for gram-scale reactions, enabling the synthesis of (R)-xanthorrhizol with high enantiopurity. Radical clock experiments support the intermediacy of radicals.

Substituted α-mercaptoketones, new types of specific neprilysin inhibitors

Poras, Hervé,Patouret, Rémi,Leiris, Simon,Ouimet, Tanja,Fournié-Zaluski, Marie-Claude,Roques, Bernard P.

, p. 3883 - 3890 (2017/07/27)

New neprilysin inhibitors containing an α-mercaptoketone HSC(R1R2)CO group, as zinc ligand were designed. Two parameters were explored for potency optimization: the size of the inhibitor which could interact with the S1, S

Synthesis and anti-parasitic activity of C-benzylated (N-arylcarbamoyl)alkylphosphonate esters

Adeyemi, Christiana M.,Isaacs, Michelle,Mnkandhla, Dumisani,Klein, Rosalyn,Hoppe, Heinrich C.,Krause, Rui W.M.,Lobb, Kevin A.,Kaye, Perry T.

, p. 1661 - 1667 (2017/03/08)

Unexpected substituent-dependent regioselectivty challenges in the synthesis of C-benzylated (N-arylcarbamoyl)phosphonate esters have been resolved. The C-benzylated N-furfurylcarbamoyl derivative showed low micromolar PfLDH inhibition, while one of the C-benzylated N-arylcarbamoyl analogues was active against Nagana Trypanosoma brucei parasites which are responsible for African trypanosomiasis in cattle.

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