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(R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID, also known as (R)-(+)-β-phenyl-3-hydroxypropionic acid, is a chiral compound with a unique molecular structure featuring a hydroxyl and a carboxylic acid group attached to a phenylpropionic backbone. It is a colorless to white crystalline powder or needles, which is significant in the field of organic chemistry and pharmaceuticals due to its versatile applications.

2768-42-5

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2768-42-5 Usage

Uses

Used in Pharmaceutical Industry:
(R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID is used as a chiral building block for the synthesis of various pharmaceutical compounds. Its unique chiral center allows for the creation of enantiomerically pure drugs, which is crucial in ensuring the desired therapeutic effects and minimizing potential side effects.
Used in Chemical Synthesis:
(R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID is used as a key intermediate in the synthesis of a novel, reusable solid-supported open chain chiral auxiliary derived from m-hydrobenzoin. This auxiliary is employed for the diastereoselective reduction of α-keto esters, which is an essential process in the development of new pharmaceuticals and other specialty chemicals.
Used in Research and Development:
In the field of research and development, (R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID serves as a valuable compound for studying the effects of chirality on chemical reactions and biological activities. Its unique properties make it an important tool in understanding the role of stereochemistry in drug design and development.
Used in Analytical Chemistry:
(R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID can be used as a reference compound in analytical chemistry for the development and validation of chiral separation techniques. These techniques are essential for the analysis and purification of enantiomers, which is a critical aspect of pharmaceutical development and quality control.

Check Digit Verification of cas no

The CAS Registry Mumber 2768-42-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,7,6 and 8 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2768-42:
(6*2)+(5*7)+(4*6)+(3*8)+(2*4)+(1*2)=105
105 % 10 = 5
So 2768-42-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1

2768-42-5 Well-known Company Product Price

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  • Alfa Aesar

  • (L19040)  (R)-(+)-3-Hydroxy-3-phenylpropionic acid, 98+%   

  • 2768-42-5

  • 250mg

  • 831.0CNY

  • Detail
  • Alfa Aesar

  • (L19040)  (R)-(+)-3-Hydroxy-3-phenylpropionic acid, 98+%   

  • 2768-42-5

  • 1g

  • 2439.0CNY

  • Detail

2768-42-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID

1.2 Other means of identification

Product number -
Other names N778

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:2768-42-5 SDS

2768-42-5Relevant academic research and scientific papers

[2.2]Paracyclophane-derived N-acyloxazol-2(3H)-one as a suitable planar chiral auxiliary for the enantioselective synthesis of β-hydroxy acids

Fringuelli, Francesco,Piermatti, Oriana,Pizzo, Ferdinando,Ruzziconi, Renzo

, p. 38 - 39 (2000)

The synthesis of optically active (+)-(R)-[2.2]paracyclophano[4,5-d]-oxazol-2(3H)-one is described. The aldol reaction of N-acyl derivatives of this planar chiral auxiliary with beazaldehyde occurs with good diastereo- and enantioselectivity.

Ultrasound in enzymatic resolution of ethyl 3-hydroxy-3-phenylpropanoate

Ribeiro, Carlos Magno R.,Passaroto, Elisa N.,Brenelli, Eugênia C.S.

, p. 6477 - 6479 (2001)

The enzymatic hydrolysis of ethyl-3-hydroxy-3-phenylpropanoate using ultrasound bath and PCL, PLE and CRL enzymes was studied. The application of ultrasound bath led to an appreciative decrease in the reaction time of enzymatic hydrolysis without a signif

Studies toward stereoselective bionanocatalysis on gold nanoparticles

Jedrzejewska, Hanna,Ostaszewski, Ryszard

, p. 12 - 16 (2013)

As yet, different enzymes were immobilized on gold nanoparticles both through adsorption and covalent binding. However, there is only one evaluation if such immobilization influenced enzyme enantioselectivity, which is an essential parameter in biocatalys

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.

Stereoselective acetate aldol reactions of α-silyloxy ketones

Lorente, Adriana,Pellicena, Miquel,Romea, Pedro,Urpí, Fèlix

, p. 1023 - 1035 (2015/01/30)

TiCl4-mediated aldol reactions of chiral methyl α-silyloxy ketones with a variety of aldehydes provide the corresponding 1,4-syn aldol adducts with moderate to high stereocontrol. This transformation represents a new approach to substrate-controlled acetate aldol reactions and complements the 1,4-anti asymmetric induction produced by the related α-benzyloxy ketones. This new approach could be useful in the design of more efficient syntheses of natural products.

Substrate evaluation of rhodococcus erythropolis SET1, a nitrile hydrolysing bacterium, demonstrating dual activity strongly dependent on nitrile sub-structure

Coady, Tracey M.,Coffey, Lee V.,O'Reilly, Catherine,Lennon, Claire M.

supporting information, p. 1108 - 1116 (2015/02/19)

Assessment of Rhodococcus erythropolis SET1, a novel nitrile hydrolysing bacterial isolate, has been undertaken with 34 nitriles, 33 chiral and 1 prochiral. These substrates consist primarily of β-hydroxy nitriles with varying alkyl and aryl groups at the β position and containing in several compounds different substituents α to the nitrile. In the case of β-hydroxy nitriles without substitution at the α position, acids were the major products obtained, along with recovered nitrile after biotransformation, as a result of suspected nitrilase activity of the isolate. Unexpectedly, amides were found to be the major hydrolysis product when the β-hydroxy nitriles possessed a vinyl group at this position. To probe this behaviour further, additional related substrates were evaluated containing electron-withdrawing groups at the α position, and amide was also observed upon biotransformation in the presence of SET1. Therefore this novel isolate has also demonstrated NHase activity with nitriles that appears to be substrate-dependent.

Heterogeneous versus homogeneous copper(II) catalysis in enantioselective conjugate-addition reactions of boron in water

Kitanosono, Taku,Xu, Pengyu,Kobayashi, Shu

supporting information, p. 179 - 188 (2014/01/06)

We have developed CuII-catalyzed enantioselective conjugate-addition reactions of boron to α,β-unsaturated carbonyl compounds and α,β,γ,δ-unsaturated carbonyl compounds in water. In contrast to the previously reported CuI catalysis that required organic solvents, chiral CuII catalysis was found to proceed efficiently in water. Three catalyst systems have been exploited: cat. 1: Cu(OH)2 with chiral ligand L1; cat. 2: Cu(OH)2 and acetic acid with ligand L1; and cat. 3: Cu(OAc)2 with ligand L1. Whereas cat. 1 is a heterogeneous system, cat. 2 and cat. 3 are homogeneous systems. We tested 27 α,β-unsaturated carbonyl compounds and an α,β-unsaturated nitrile compound, including acyclic and cyclic α,β-unsaturated ketones, acyclic and cyclic β,β- disubstituted enones, acyclic and cyclic α,β-unsaturated esters (including their β,β-disubstituted forms), and acyclic α,β-unsaturated amides (including their β,β-disubstituted forms). We found that cat. 2 and cat. 3 showed high yields and enantioselectivities for almost all substrates. Notably, no catalysts that can tolerate all of these substrates with high yields and high enantioselectivities have been reported for the conjugate addition of boron. Heterogeneous cat. 1 also gave high yields and enantioselectivities with some substrates and also gave the highest TOF (43 200 h-1) for an asymmetric conjugate-addition reaction of boron. In addition, the catalyst systems were also applicable to the conjugate addition of boron to α,β,γ, δ-unsaturated carbonyl compounds, although such reactions have previously been very limited in the literature, even in organic solvents. 1,4-Addition products were obtained in high yields and enantioselectivities in the reactions of acyclic α,β,γ,δ-unsaturated carbonyl compounds with diboron 2 by using cat. 1, cat. 2, or cat. 3. On the other hand, in the reactions of cyclic α,β,γ,δ-unsaturated carbonyl compounds with compound 2, whereas 1,4-addition products were exclusively obtained by using cat. 2 or cat. 3, 1,6-addition products were exclusively produced by using cat. 1. Similar unique reactivities and selectivities were also shown in the reactions of cyclic trienones. Finally, the reaction mechanisms of these unique conjugate-addition reactions in water were investigated and we propose stereochemical models that are supported by X-ray crystallography and MS (ESI) analysis. Although the role of water has not been completely revealed, water is expected to be effective in the activation of a borylcopper(II) intermediate and a protonation event subsequent to the nucleophilic addition step, thereby leading to overwhelmingly high catalytic turnover. Copyright

Stereoselective synthesis of (S)-dapoxetine: A chiral auxiliary mediated approach

Khatik, Gopal L.,Sharma, Ratnesh,Kumar, Varun,Chouhan, Mangilal,Nair, Vipin A.

, p. 5991 - 5993 (2013/10/22)

An imidazolidin-2-one chiral auxiliary mediated acetate aldol reaction was explored in the enantioselective synthesis of (S)-dapoxetine (SSRI). The diastereoselective aldol adduct was transformed to highly enantiopure (S)-dapoxetine with overall good yield.

Reversal of selectivity in acetate aldol reactions of N-acetyl-(S)-4- isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one

Khatik, Gopal L.,Kumar, Varun,Nair, Vipin A.

supporting information; experimental part, p. 2442 - 2445 (2012/07/03)

Synergistic effects of the exo- and endocyclic chiral centers of an imidazolidinone-based auxiliary were investigated in the perspective of acetate aldol reactions. The reversal in diastereoselectivity was accomplished by lithium and titanium enolate reactions, which proceed through proposed open and closed transitions states, respectively. The aldol adducts were used in the stereoselective synthesis of fluoxetine.

Asymmetric induction by (S)-4-isopropyl-1-phenylimidazolidin-2-thione in titanium-mediated aldol reactions and its application in enantioselective synthesis of (R)-baclofen

Khatik, Gopal L.,Khurana, Ravi,Kumar, Varun,Nair, Vipin A.

, p. 3123 - 3132 (2011/10/31)

The usefulness of (S)-4-isopropyl-1-phenylimidazolidin-2-thione as a chiral auxiliary in stereoselective propionate and acetate aldol reactions is discussed. Further, the enantioselective synthesis of (R)-baclofen by acetate aldol reaction using the chiral auxiliary was demonstrated. Georg Thieme Verlag Stuttgart New York.

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