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DL-alpha-Methylbenzylamine, also known as α-Methylbenzylamine, is a phenylethylamine derivative that is ethylamine substituted by a phenyl group at position 1. It is a liquid chemical compound and serves as a nitrogen source, widely used as a representative substrate to study the chemo-enzymatic kinetic resolution of primary amines.

618-36-0

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618-36-0 Usage

Uses

Used in Chemical Synthesis:
DL-alpha-Methylbenzylamine is used as a reactant for the synthesis of dihydro-5H-dibenz[c,e]azepinium salts by reacting with racemic biphenol derivatives. This application is particularly relevant in the field of organic chemistry and pharmaceuticals, where the compound can be utilized to create various complex molecules.
Used as an Emulsifying Agent:
In the chemical industry, DL-alpha-Methylbenzylamine is employed as an emulsifying agent. Its ability to stabilize mixtures of oil and water makes it a valuable component in the formulation of various products, such as cosmetics, detergents, and food additives.
Used as a Resolving Agent and Chiral Intermediate:
DL-alpha-Methylbenzylamine is used as a resolving agent and chiral intermediate in the synthesis of enantiomerically pure compounds. This is crucial in the pharmaceutical industry, as many drugs exhibit different biological activities depending on their chirality. DL-alpha-Methylbenzylamine's ability to help produce single-enantiomer products can lead to more effective and safer medications.

Synthesis Reference(s)

The Journal of Organic Chemistry, 49, p. 4272, 1984 DOI: 10.1021/jo00196a031Chemical and Pharmaceutical Bulletin, 36, p. 1529, 1988 DOI: 10.1248/cpb.36.1529Tetrahedron Letters, 27, p. 3957, 1986 DOI: 10.1016/S0040-4039(00)84883-2

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 618-36-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 8 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 618-36:
(5*6)+(4*1)+(3*8)+(2*3)+(1*6)=70
70 % 10 = 0
So 618-36-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

618-36-0 Well-known Company Product Price

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  • Alfa Aesar

  • (A15711)  (±)-1-Phenylethylamine, 98+%   

  • 618-36-0

  • 100ml

  • 215.0CNY

  • Detail
  • Alfa Aesar

  • (A15711)  (±)-1-Phenylethylamine, 98+%   

  • 618-36-0

  • 500ml

  • 713.0CNY

  • Detail

618-36-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-phenylethylamine

1.2 Other means of identification

Product number -
Other names DL-α-Methylbenzylamine

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:618-36-0 SDS

618-36-0Relevant academic research and scientific papers

Optimizing the deprotection of the amine protecting p-methoxyphenyl group in an automated microreactor platform

Koch, Kaspar,Van Weerdenburg, Bram J.A.,Verkade, Jorge M.M.,Nieuwland, Pieter J.,Rutjes, Floris P.J.T.,Van Hest, Jan C.M.

, p. 1003 - 1006 (2009)

Three factors (temperature, stoichiometry and reaction temperature) were investigated in continuous flow microreactors in an automated fashion for optimization of the removal of the p- methoxyphenyl (PMP) protecting group, thereby consuming only minute amounts of substrate (0.2 mg/sample). The optimal reaction conditions were also applied to a larger microreactor system, in which the corresponding free amine was obtained at a preparative scale.

Key Parameters for the Synthesis of Active and Selective Nanostructured 3d Metal Catalysts Starting from Coordination Compounds – Case Study: Nickel Mediated Reductive Amination

Klarner, Mara,Blach, Patricia,Wittk?mper, Haiko,de Jonge, Niels,Papp, Christian,Kempe, Rhett

, p. 3257 - 3261 (2021)

The design of nanostructured catalysts based on earth-abundant metals that mediate important reactions efficiently, selectively and with a broad scope is highly desirable. Unfortunately, the synthesis of such catalysts is poorly understood. We report here on highly active Ni catalysts for the reductive amination of ketones by ammonia employing hydrogen as a reducing agent. The key functions of the Ni-salen precursor complex during catalyst synthesis have been identified: (1) Ni-salen complexes sublime during catalyst synthesis, which allows molecular dispersion of the metal precursor on the support material. (2) The salen ligand forms a nitrogen-doped carbon shell by decomposition, which embeds and stabilizes the Ni nanoparticles on the γ-Al2O3 support. (3) Parameters, such as flow rate of the pyrolysis gas, determine the carbon supply for the embedding process of Ni nanoparticles.

Iridium-Catalyzed Hydroiodination and Formal Hydroamination of Olefins with N-Iodo Reagents and Molecular Hydrogen: An Umpolung Strategy

Wen, Jialin,Yang, Huaxin,Zhang, Xumu,Zhang, Zhihan,Zhou, Yang

, p. 1842 - 1847 (2022/03/14)

We herein report a convenient method to convert olefins to organic iodides and amines using an Ir/ZhaoPhos catalyst, molecular hydrogen, and an electrophilic iodine(I) reagent. High yields and regioselectivities were obtained under mild conditions. In addition, basic workup with potassium carbonate leads to C-N products. Control experiments and DFT calculations tentatively excluded the pathway involving the in situ formation of HI. Instead, a catalytic cycle involving the hydrogenation of the haliranium ion intermediate was proposed.

Co-Catalyzed Synthesis of Primary Amines via Reductive Amination employing Hydrogen under very mild Conditions

Elfinger, Matthias,Sch?nauer, Timon,Thom?, Sabrina L. J.,St?glich, Robert,Drechsler, Markus,Zobel, Mirijam,Senker, Jürgen,Kempe, Rhett

, p. 2360 - 2366 (2021/05/03)

Nanostructured and reusable 3d-metal catalysts that operate with high activity and selectivity in important chemical reactions are highly desirable. Here, a cobalt catalyst was developed for the synthesis of primary amines via reductive amination employing hydrogen as the reducing agent and easy-to-handle ammonia, dissolved in water, as the nitrogen source. The catalyst operates under very mild conditions (1.5 mol% catalyst loading, 50 °C and 10 bar H2 pressure) and outperforms commercially available noble metal catalysts (Pd, Pt, Ru, Rh, Ir). A broad scope and a very good functional group tolerance were observed. The key for the high activity seemed to be the used support: an N-doped amorphous carbon material with small and turbostratically disordered graphitic domains, which is microporous with a bimodal size distribution and with basic NH functionalities in the pores.

Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(iii) complexes bearing an amidato ligand

Dai, Zengjin,Pan, Ying-Min,Wang, Shou-Guo,Yin, Qin,Zhang, Xumu

supporting information, p. 8934 - 8939 (2021/11/04)

A series of half-sandwich Ir(iii) complexes1-6bearing an amidato bidentate ligand were conveniently synthesized and applied to the catalytic Leuckart-Wallach reaction to produce racemic α-chiral primary amines. With 0.1 mol% of complex1, a broad range of ketones, including aryl ketones, dialkyl ketones, cyclic ketones, α-keto acids, α-keto esters and diketones, could be transformed to their corresponding primary amines with moderate to excellent yields (40%-95%). Asymmetric transformation was also attempted with chiral Ir complexes3-6, and 16% ee of the desired primary amine was obtained. Despite the unsatisfactory enantio-control achieved so far, the current exploration might stimulate more efforts towards the discovery of better chiral catalysts for this challenging but important transformation.

Air Stable Iridium Catalysts for Direct Reductive Amination of Ketones

Polishchuk, Iuliia,Sklyaruk, Jan,Lebedev, Yury,Rueping, Magnus

supporting information, p. 5919 - 5922 (2021/03/08)

Half-sandwich iridium complexes bearing bidentate urea-phosphorus ligands were found to catalyze the direct reductive amination of aromatic and aliphatic ketones under mild conditions at 0.5 mol % loading with high selectivity towards primary amines. One of the complexes was found to be active in both the Leuckart–Wallach (NH4CO2H) type reaction as well as in the hydrogenative (H2/NH4AcO) reductive amination. The protocol with ammonium formate does not require an inert atmosphere, dry solvents, as well as additives and in contrast to previous reports takes place in hexafluoroisopropanol (HFIP) instead of methanol. Applying NH4CO2D or D2 resulted in a high degree of deuterium incorporation into the primary amine α-position.

Oxidation Under Reductive Conditions: From Benzylic Ethers to Acetals with Perfect Atom-Economy by Titanocene(III) Catalysis

Funk, Pierre,Richrath, Ruben B.,Bohle, Fabian,Grimme, Stefan,Gans?uer, Andreas

, p. 5482 - 5488 (2021/02/03)

Described here is a titanocene-catalyzed reaction for the synthesis of acetals and hemiaminals from benzylic ethers and benzylic amines, respectively, with pendant epoxides. The reaction proceeds by catalysis in single-electron steps. The oxidative addition comprises an epoxide opening. An H-atom transfer, to generate a benzylic radical, serves as a radical translocation step, and an organometallic oxygen rebound as a reductive elimination. The reaction mechanism was studied by high-level dispersion corrected hybrid functional DFT with implicit solvation. The low-energy conformational space was searched by the efficient CREST program. The stereoselectivity was deduced from the lowest lying benzylic radical structures and their conformations are controlled by hyperconjugative interactions and steric interactions between the titanocene catalyst and the aryl groups of the substrate. An interesting mechanistic aspect is that the oxidation of the benzylic center occurs under reducing conditions.

Indirect reduction of CO2and recycling of polymers by manganese-catalyzed transfer hydrogenation of amides, carbamates, urea derivatives, and polyurethanes

Liu, Xin,Werner, Thomas

, p. 10590 - 10597 (2021/08/20)

The reduction of polar bonds, in particular carbonyl groups, is of fundamental importance in organic chemistry and biology. Herein, we report a manganese pincer complex as a versatile catalyst for the transfer hydrogenation of amides, carbamates, urea derivatives, and even polyurethanes leading to the corresponding alcohols, amines, and methanol as products. Since these compound classes can be prepared using CO2as a C1 building block the reported reaction represents an approach to the indirect reduction of CO2. Notably, these are the first examples on the reduction of carbamates and urea derivatives as well as on the C-N bond cleavage in amides by transfer hydrogenation. The general applicability of this methodology is highlighted by the successful reduction of 12 urea derivatives, 26 carbamates and 11 amides. The corresponding amines, alcohols and methanol were obtained in good to excellent yields up to 97%. Furthermore, polyurethanes were successfully converted which represents a viable strategy towards a circular economy. Based on control experiments and the observed intermediates a feasible mechanism is proposed.

Direct C(sp3)-N Radical Coupling: Photocatalytic C-H Functionalization by Unconventional Intermolecular Hydrogen Atom Transfer to Aryl Radical

Cho, Eun Jin,Hwang, Ho Seong,Kang, Jihee,Soni, Vineet Kumar

supporting information, (2020/08/12)

An unconventional approach for intermolecular direct C(sp3)-N radical coupling has been developed by photocatalytic C(sp3)-H activation of simple alkyl substrates using O-benzoyl oximes. The selective photocatalytic energy-transfer-driven homolysis followed by decarboxylation generates the persistent iminyl radical and aryl radical, which would undergo an unprecedented intermolecular hydrogen atom abstraction from the alkyl substrate to provide the key C(sp3) radical. Selective radical-radical C-N cross-coupling furnishes imines which are valuable amine building blocks.

Synthesis and characterization of a magnetic hybrid catalyst containing lipase and palladium and its application on the dynamic kinetic resolution of amines

Almeida, Rhudson F. O.,Caraballo, Richard,Dalm?nico, Gisele,Ferraz, Clara A.,Finotelli, Priscilla V.,Itabaiana, Ivaldo,Junior, Aldo A. T.,Le?o, Raquel A. C.,Sergio, Gabriella G.,Wojcieszak, Robert,de Souza, Rodrigo O. M. A.,do Nascimento, Marcelo A.

, (2020/07/10)

Recent papers estimates that about 40 % of drugs present chiral amines in their structure and their synthesis in a sustainable and cost-competitive way is still a challenge for the industry. Kinetic resolution is one of the most applied method to produce these desired compounds where the association with lipase as a catalyst is a good alternative. However, the use of separate racemization catalyst and enzymes in the reaction medium still limits recovery, recycling and can occasionally be responsible for decreasing in selectivity for the desired product. In this work we proposed the synthesis and characterization of a hybrid magnetic catalyst composed containing lipase CaL B and Pd immobilized on the same recovered nanometric magnetic support for the application on Dynamic Kinetic Resolution of (rac)-1-phenylethylamine both in batch and continuous flow conditions. As results it was possible to achieve 99 % of conversion, with 95 % of selectivity and 93 % of enantiomeric excess after 12 h in batch. For a continuous flow system, it was possible to achieve 95 % of conversion with 71 % of selectivity and ee > 99 % after 60 min of reaction. The hybrid catalyst had around 50?100 nm with nanoparticulated Pd (5?10 nm) on its surface, presented a superparamagnetic behavior without remaining magnetization and 22 emu/g of saturation magnetization.

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