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DL-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL, also known as α-(Methylaminomethyl)benzyl alcohol, is a chemical compound with the molecular formula C14H19NO. It is characterized by its white crystalline appearance and is a potential substrate for studies involving phenylethanolamine-N-methyltransferase, an enzyme that plays a role in the biosynthesis of certain neurotransmitters and hormones.

6589-55-5

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6589-55-5 Usage

Uses

Used in Pharmaceutical Synthesis:
DL-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL is used as a chemical intermediate for the synthesis of 1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines, which are a class of compounds with potential applications in the pharmaceutical industry.
Used in Analytical Chemistry:
In the field of analytical chemistry, DL-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL is used as an internal standard during the determination of pseudoephedrine and phenylpropanolamine urine concentrations by high-performance liquid chromatography (HPLC). This application helps to ensure accurate and reliable quantification of these substances in biological samples.
Used in Research and Development:
As a potential substrate for phenylethanolamine-N-methyltransferase, DL-ALPHA-(METHYLAMINOMETHYL)BENZYL ALCOHOL is also utilized in research and development for studying the enzyme's function, mechanism, and potential applications in the synthesis of bioactive compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 6589-55-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,5,8 and 9 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6589-55:
(6*6)+(5*5)+(4*8)+(3*9)+(2*5)+(1*5)=135
135 % 10 = 5
So 6589-55-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H13NO.ClH/c1-10-7-9(11)8-5-3-2-4-6-8;/h2-6,9-11H,7H2,1H3;1H

6589-55-5 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (L08111)  DL-alpha-(Methylaminomethyl)benzyl alcohol, 99%   

  • 6589-55-5

  • 2g

  • 277.0CNY

  • Detail
  • Alfa Aesar

  • (L08111)  DL-alpha-(Methylaminomethyl)benzyl alcohol, 99%   

  • 6589-55-5

  • 10g

  • 1013.0CNY

  • Detail
  • Aldrich

  • (209848)  α-(Methylaminomethyl)benzylalcohol  99%

  • 6589-55-5

  • 209848-10G

  • 1,138.41CNY

  • Detail

6589-55-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Methylamino)-1-phenylethanol

1.2 Other means of identification

Product number -
Other names win5529-2

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:6589-55-5 SDS

6589-55-5Relevant academic research and scientific papers

Method for synthesizing chiral alpha-amino alcohol compound

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Paragraph 0083-0091, (2021/07/28)

The invention discloses a method for synthesizing a chiral alpha-amino alcohol compound. The method comprises the following steps: sequentially adding an iron catalyst, a ligand, ketone, an organic solvent and silane into a reaction system at 20-30 DEG C in a nitrogen atmosphere, then stirring the obtained mixture, and carrying out column chromatography separation on the obtained product to obtain a product, namely chiral alpha-amino alcohol. According to the invention, the most high-yield iron catalyst in earth crust is used, and cheap silane (PMHS, 500 g/298 yuan) is adopted as a reducing agent, so the asymmetric reduction reaction of alpha-amino ketone can be efficiently achieved under mild conditions so as to obtain the high-yield optically-active chiral alpha-amino alcohol compound; and moreover, through the creative labor of the inventor, reaction yield can reach 99%, and meanwhile, the content of the target product in the generated reaction product is 99%.

Catalyst-Free Visible-Light-Mediated Iodoamination of Olefins and Synthetic Applications

Engl, Sebastian,Reiser, Oliver

supporting information, p. 5581 - 5586 (2021/07/26)

Herein we report a catalyst- and metal-free visible-light-mediated protocol enabling the iodoamination of miscellaneous olefins. This protocol is characterized by high yields under environmentally benign reaction conditions utilizing commercially available substrates and a green and biodegradable solvent. Furthermore, the protocol allows for late-stage functionalization of bioactive molecules and can be scaled to gram quantities of product, which offers manifold possibilities for further transformations, including morpholine, piperidine, pyrrolidine, and aziridine synthesis.

5-Aryloxazolidines as Reagents for Double Alkylation of Arenes: A Novel Synthesis of 4-Aryltetrahydroisoquinolines

Buev, Evgeny M.,Moshkin, Vladimir S.,Smorodina, Anastasia A.,Sosnovskikh, Vyacheslav Y.

, p. 15307 - 15317 (2021/10/20)

5-Aryloxazolidines react with arenes under Lewis or Br?nsted acid conditions via the Friedel-Crafts/Pictet-Spengler double alkylation sequence to give alkaloid-like 4-aryltetrahydroisoquinolines in 12-94% yields. Three approaches for the controlled insertion of substituents into the target molecules and application of oxazolidine derivatives such as 1-arylethanol-2-amines or 4-hydroxytetrahydroisoquinolines in the alkylation of arenes are also described. An unprecedented two-step easily scalable synthesis of the 4-aryltetrahydroisoquinoline core from aromatic aldehyde was achieved applying oxazolidine methodology.

Design and Scalable Synthesis of N-Alkylhydroxylamine Reagents for the Direct Iron-Catalyzed Installation of Medicinally Relevant Amines**

Delcaillau, Tristan,Falk, Eric,Gürtler, Laura,Makai, Szabolcs,Morandi, Bill

supporting information, p. 21064 - 21071 (2020/09/21)

Secondary and tertiary alkylamines are privileged substance classes that are often found in pharmaceuticals and other biologically active small molecules. Herein, we report their direct synthesis from alkenes through an aminative difunctionalization reaction enabled by iron catalysis. A family of ten novel hydroxylamine-derived aminating reagents were designed for the installation of several medicinally relevant amine groups, such as methylamine, morpholine and piperazine, through the aminochlorination of alkenes. The method has excellent functional group tolerance and a broad scope of alkenes was converted to the corresponding products, including several drug-like molecules. Besides aminochlorination, the installation of other functionalities through aminoazidation, aminohydroxylation and even intramolecular carboamination reactions, was demonstrated, further highlighting the broad potential of these new reagents for the discovery of novel amination reactions.

Method for synthesizing N-methylphenethyl ethanolamine and hydrochloride thereof

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Paragraph 0039; 0045-0058, (2017/08/30)

The invention relates to a method for synthesizing N-methylphenethyl ethanolamine and hydrochloride thereof, and belongs to the technical field of organic synthesis. The method comprises the following steps: dissolving styrene and sodium chloride in a mixed solvent, sequentially adding sulfuric acid aqueous solution and sodium periodate at negative 5-5 DEG C, heating and stirring to react, adding a sodium thiosulfate aqueous solution for a quenching reaction, regulating the pH value to be 8, extracting and concentrating to obtain intermediate (I); adding a methylamine aqueous solution into a reaction bottle, slowly dropwise adding the intermediate (I) into the reaction bottle, stirring overnight at room temperature, performing HPLC detection reaction, and concentrating at reduced pressure to obtain the N-methylphenethyl ethanolamine. In the method for synthesizing N-methylphenethyl ethanolamine, raw materials have low price and are easily available, a low-price conventional reagent is adopted as the reagent, so that the method has low synthesizing cost, mild reaction condition and high conversion rate; and the prepared N-methylphenethyl ethanolamine and hydrochloride thereof have high yield and high purity, and have high quality.

Use of a Catalytic Chiral Leaving Group for Asymmetric Substitutions at sp3-Hybridized Carbon Atoms: Kinetic Resolution of β-Amino Alcohols by p-Methoxybenzylation

Kuroda, Yusuke,Harada, Shingo,Oonishi, Akinori,Kiyama, Hiroki,Yamaoka, Yousuke,Yamada, Ken-Ichi,Takasu, Kiyosei

supporting information, p. 13137 - 13141 (2016/10/30)

A catalytic strategy was developed for asymmetric substitution reactions at sp3-hybridized carbon atoms by using a chiral alkylating agent generated in situ from trichloroacetimidate and a chiral phosphoric acid. The resulting chiral p-methoxybenzyl phosphate selectively reacts with β-amino alcohols rather than those without a β-NH functionality. The use of an electronically and sterically tuned chiral phosphoric acid enables the kinetic resolution of amino alcohols through p-methoxybenzylation with good enantioselectivity.

AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS

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Page/Page column 83; 84, (2016/07/05)

The present invention is related to amino thiazole derivatives of Formula (I), pharmaceutical composition thereof and to their use for the treatment and/or prophylaxis of disorders or conditions related to Nicotinamide adenine dinucleotide phosphate oxidase (NADPH Oxidase).

Synthesis of chiral oxazolidinone derivatives through lipase-catalyzed kinetic resolution

Zhang, Yan,Zhang, Yang,Ren, Yansong,Ramstr?m, Olof

, p. 29 - 34 (2015/09/15)

The synthesis of enantioenriched oxazolidinone derivatives through lipase-catalyzed kinetic resolution is described. The synthesis comprised a two-step, cascade acylation in one pot, resulting in a range of oxazolidinone derivatives in good yields and exc

ZnCl2-promoted asymmetric hydrogenation of β-secondary-amino ketones catalyzed by a P-chiral rh-bisphosphine complex

Hu, Qiupeng,Zhang, Zhenfeng,Liu, Yangang,Imamoto, Tsuneo,Zhang, Wanbin

supporting information, p. 2260 - 2264 (2015/02/19)

A new catalytic system has been developed for the asymmetric hydrogenation of β-secondary-amino ketones using a highly efficient P-chiral bisphosphine-rhodium complex in combination with ZnCl2 as the activator of the catalyst. The chiral γ-secondary-amino alcohols were obtained in 90-94% yields, 90-99% enantioselectivities, and with high turnover numbers (up to 2000 S/C; S/C = substrate/catalyst ratio). A mechanism for the promoting effect of ZnCl2 on the catalytic system has been proposed on the basis of NMR spectroscopy and HRMS studies. This method was successfully applied to the asymmetric syntheses of three important drugs, (S)-duloxetine, (R)-fluoxetine, and (R)-atomoxetine, in high yields and with excellent enantioselectivities.

Optimization of immobilization conditions of Mucor miehei lipase onto Florisil via polysuccinimide spacer arm using response surface methodology and application of immobilized lipase in asymmetric acylation of 2-amino-1-phenylethanols

Yildirim, Deniz,Tuekel, S. Seyhan,Alptekin, Oezlem,Alagoez, Dilek

, p. 91 - 103 (2014/01/17)

In this study, the immobilization of Mucor miehei lipase onto Florisil support via polysuccinimide spacer arm was scrutinized by using a 3-factor and 3-level Box-Behnken design. The independent parameters were immobilization pH, immobilization time and initial lipase concentration and the response was the specific activity of immobilized lipase. A quadratic equation was used to explain the relationship between the response and independent parameters. After analysis of variance test, coefficient of determination and adjusted coefficient of determination values were estimated as 0.98 and 0.94, respectively. The optimal immobilization pH, immobilization time and initial lipase concentration were determined as 6.0, 7 h and 1.1 mg mL-1, respectively, after desirability analysis. The specific activity values for three individual experiments were observed as 25.88 ± 0.73, 26.06 ± 0.47 and 25.96 ± 0.52 U mg protein-1 under the optimized conditions. The hydrolytic activities of free and immobilized lipase preparations were characterized using p-nitrophenyl palmitate as substrate. The esterification activity of immobilized lipase preparation was evaluated by asymmetric acylation of 2-(methylamino)-1-phenylethanol, 2-(ethylamino)-1- phenylethanol, 2-(butylamino)-1-phenylethanol, and 2-(hexylamino)-1- phenylethanol with vinyl acetate. The acylation protocol was optimized in terms of the effects of initial water amount, reaction temperature, molar ratio of amino alcohol to vinyl acetate, biocatalyst loading, organic medium and kind of lipases used. The developed protocol provided a facile methodology for the preparation of enantiopure 2-amino-1-phenylethanols which may be used as potential new β-adrenergic receptor antagonists.

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