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(2S,3S)-3-Hydroxy-2-methyl-3-phenylpropanoic acid is a chiral molecule with a molecular formula C10H12O3. It is a derivative of phenylpropanoic acid and is commonly found in natural products such as plants and fungi. (2S,3S)-3-Hydroxy-2-methyl-3-phenylpropanoic acid has two stereoisomers, which are mirror images of each other, and has been studied for its potential biological activities, including anti-inflammatory and anti-cancer properties.

76549-02-5

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76549-02-5 Usage

Uses

Used in Pharmaceutical Industry:
(2S,3S)-3-Hydroxy-2-methyl-3-phenylpropanoic acid is used as a precursor for the synthesis of various drugs due to its unique chemical structure and potential biological activities.
Used in Flavor and Fragrance Industry:
(2S,3S)-3-Hydroxy-2-methyl-3-phenylpropanoic acid is used as a building block for the production of flavors and fragrances, taking advantage of its natural occurrence and unique chemical properties.
Used in Research and Development:
(2S,3S)-3-Hydroxy-2-methyl-3-phenylpropanoic acid is used in research and development for studying its potential biological activities, such as anti-inflammatory and anti-cancer properties, and exploring its applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 76549-02-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,5,4 and 9 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 76549-02:
(7*7)+(6*6)+(5*5)+(4*4)+(3*9)+(2*0)+(1*2)=155
155 % 10 = 5
So 76549-02-5 is a valid CAS Registry Number.

76549-02-5Relevant academic research and scientific papers

Synthesis and Enantioselective Aldol Reaction of a Chiral 2-Oxo-2-propionyl-1,3,2-oxazaphosphorinane

Gordon, Neil J.,Evans, Slayton A.

, p. 5295 - 5297 (1993)

The synthesis of cis- and trans-2-oxo-2-propionyl-1,3,2-oxazaphosphorinane (cis- and trans-7), via the condensation of (S)-N-isopropyl-4-aminobutan-2-ol (5) with methyl dichlorophosphite (CH3OPCl2), followed by the Michaelis-Arbusov coupling with propionyl chloride is described, and our preliminary research involving metal-directed diastereo- and enantioselective aldol reactions between the lithio enolate of trans-oxazaphosphorinane 7 and benzaldehyde are also discussed.

Synthesis and evaluation of a new non-cross-linked polystyrene supported hydantoin chiral auxiliary for asymmetric aldol reactions

Lu, Guang-Jun,Nie, Jun-Qi,Chen, Zu-Xing,Yang, Gui-Chun,Lu, Cui-Fen

, p. 1331 - 1335 (2013)

A new non-cross-linked polystyrene supported chiral hydantoin was prepared and it was shown to be a particularly effective chiral auxiliary for asymmetric aldol reactions, affording high yields and excellent diastereoselectivity. Furthermore, the recovery and recycling of the polymer-supported chiral auxiliary have been successfully achieved without an appreciable reduction in the yield or diastereoselectivity.

Siloxy Esters as Traceless Activators of Carboxylic Acids: Boron-Catalyzed Chemoselective Asymmetric Aldol Reaction**

Fujita, Taiki,Kanai, Motomu,Mitsunuma, Harunobu,Sameera, W. M. C.,Yamane, Mina

supporting information, p. 24598 - 24604 (2021/10/14)

The catalytic asymmetric aldol reaction is among the most useful reactions in organic synthesis. Despite the existence of many prominent reports, however, the late-stage, chemoselective, catalytic, asymmetric aldol reaction of multifunctional substrates is still difficult to achieve. Herein, we identified that in situ pre-conversion of carboxylic acids to siloxy esters facilitated the boron-catalyzed direct aldol reaction, leading to the development of carboxylic acid-selective, catalytic, asymmetric aldol reaction applicable to multifunctional substrates. Combining experimental and computational studies rationalized the reaction mechanism and led to the proposal of Si/B enediolates as the active species. The silyl ester formation facilitated both enolization and catalyst turnover by acidifying the α-proton of substrates and attenuating poisonous Lewis bases to the boron catalyst.

Asymmetric solution-phase mixture aldol reaction using oligomeric ethylene glycol tagged chiral oxazolidinones

Turkyilmaz, Serhan,Wilcox, Craig S.

supporting information, p. 2031 - 2033 (2017/05/04)

Sorting tags are oligomeric structures that can be used as protecting groups or chiral auxiliaries enabling solution-phase mixture syntheses of multiple tagged compounds in one pot and allowing for facile and predictable chromatographic separation of products at the end of synthetic sequences. Perfluorinated hydrocarbon and oligomeric ethylene glycol (OEG) derivatives are known classes of sorting tags. Herein we describe the preparation of OEGylated chiral oxazolidinones and their use in asymmetric solution-phase mixture aldol reactions. Through the use of such oxazolidinones based on tyrosine four different individually tagged aldol adducts were obtained as a mixture, chromatographically demixed, detagged, and it was shown that these processes gave the desired aldol products in good yield and enantioselectivity.

Anti-Selective enolboration-aldolization of propanoic acid

Ramachandran, P. Veeraraghavan,Chanda, Prem B.,Otoo, Barnabas

supporting information, p. 1289 - 1291 (2014/03/21)

A systematic examination of enolboration-aldolization of propanoic acid has led to an efficient synthesis of anti-β-hydroxy-α-methyl carboxylic acids in consistently high yields and diastereoselectivities by using B-bromodicyclohexylborane as the enolizat

Enantio- and diastereoselective hetero-Diels-Alder reactions between 4-methyl-substituted Rawal's diene and aldehydes catalyzed by chiral dirhodium(II) carboxamidates: Catalytic asymmetric synthesis of (-)-cis-aerangis lactone

Watanabe, Yudai,Shimada, Naoyuki,Anada, Masahiro,Hashimoto, Shunichi

, p. 63 - 73 (2014/02/14)

The first catalytic asymmetric hetero-Diels-Alder (HDA) reaction between 3-tert-butyldimethylsilyloxy- 1-dimethylamino-1,3-pentadiene (4-methyl-substituted Rawal's diene) and aldehydes is described. With 3 mol % of dirhodium(II) tetrakis[N-benzene-fused-p

Boron enolates of a hydantoin chiral auxiliary derived from l-phenylalanine: A versatile tool for asymmetric aldol reactions

Zhang, Ji-Shu,Lu, Cui-Fen,Chen, Zu-Xing,Li, Yan,Yang, Gui-Chun

experimental part, p. 72 - 75 (2012/05/20)

The aldol reactions of boron enolates derived from a hydantoin chiral auxiliary derived from l-phenylalanine occur in good yields with high syn diastereoselectivity. Aldol adduct 4a is readily cleaved by hydrolysis to afford (2S,3S)-3-hydroxy-2-methyl-3-p

MNBA-mediated β-lactone formation: Mechanistic studies and application for the asymmetric total synthesis of tetrahydrolipstatin

Shiina, Isamu,Umezaki, Yuma,Kuroda, Nobutaka,Iizumi, Takashi,Nagai, Shunsuke,Katoh, Takashi

, p. 4885 - 4901 (2012/07/30)

Various β-lactones were prepared from β-hydroxycarboxylic acids by intramolecular dehydration condensation using MNBA, an effective coupling reagent, along with a nucleophilic catalyst. The transition state that provides the desired 4-membered ring model system is disclosed by density functional theory (DFT) calculations, and the structural features of the transition form are discussed. This method was successfully applied to the asymmetric total synthesis of tetrahydrolipstatin (THL), an antiobestic drug used in clinical treatment to inhibit the activity of pancreatic lipase.

Rhenium-catalyzed reaction of carbonyl compounds with ketene silyl acetals

Nishiyama, Yutaka,Kaiba, Kenta,Umeda, Rui

experimental part, p. 793 - 795 (2010/03/24)

It was found that rhenium complex is an effective catalyst for the reaction of carbonyl compounds with ketene silyl acetals. A wide range of β-silyloxy esters is obtained by the treatment of carbonyl compounds with ketene silyl acetals in the presence of

Synthesis of 2-Arylethylamines by the Curtius Rearrangement

Schulze, Matthias

experimental part, p. 1461 - 1476 (2010/07/08)

2-Arylethylamine derivatives were synthesized using the Curtius reaction and with three different methods of preparing the acyl azide functional group. Carbamates derived from isocyanate were convenient protecting groups for alkylation of amines. Starting from benzaldehyde, amphetamine was prepared in three steps through an oxazolidin-2-one intermediate in 62% overall yield. Copyright Taylor & Francis Group, LLC.

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