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N-Benzylglycine ethyl ester, also known as N-benzyl-2-aminoacetate ethyl ester, is an organic compound that serves as a crucial intermediate in various chemical syntheses. It is a clear, colorless to light yellow liquid with significant applications across different industries due to its unique chemical properties.

6436-90-4

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6436-90-4 Usage

Uses

Used in Organic Synthesis:
N-Benzylglycine ethyl ester is used as a key intermediate for the synthesis of various organic compounds. Its versatile structure allows for the creation of a wide range of products, making it an essential component in this field.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, N-Benzylglycine ethyl ester is utilized as a building block for the development of new drugs. Its unique chemical properties enable the design and synthesis of novel therapeutic agents, contributing to the advancement of medicinal chemistry.
Used in Agrochemicals:
N-Benzylglycine ethyl ester is employed as a vital component in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these products enhances their effectiveness in protecting crops and controlling pests, thereby contributing to increased agricultural productivity.
Used in Dye Industry:
In the dyestuff field, N-Benzylglycine ethyl ester is used as a raw material for the synthesis of various dyes and pigments. Its chemical properties allow for the creation of a diverse array of colorants, which are essential for various applications, including textiles, plastics, and printing inks.

Check Digit Verification of cas no

The CAS Registry Mumber 6436-90-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,3 and 6 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6436-90:
(6*6)+(5*4)+(4*3)+(3*6)+(2*9)+(1*0)=104
104 % 10 = 4
So 6436-90-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3/p+1

6436-90-4 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (B2273)  N-Benzylglycine Ethyl Ester  >96.0%(GC)

  • 6436-90-4

  • 5g

  • 405.00CNY

  • Detail
  • TCI America

  • (B2273)  N-Benzylglycine Ethyl Ester  >96.0%(GC)

  • 6436-90-4

  • 25g

  • 1,160.00CNY

  • Detail
  • Alfa Aesar

  • (L15496)  N-Benzylglycine ethyl ester, 97%   

  • 6436-90-4

  • 25g

  • 537.0CNY

  • Detail
  • Alfa Aesar

  • (L15496)  N-Benzylglycine ethyl ester, 97%   

  • 6436-90-4

  • 100g

  • 1729.0CNY

  • Detail
  • Alfa Aesar

  • (L15496)  N-Benzylglycine ethyl ester, 97%   

  • 6436-90-4

  • 500g

  • 5641.0CNY

  • Detail
  • Aldrich

  • (B22704)  N-Benzylglycineethylester  97%

  • 6436-90-4

  • B22704-10G

  • 480.87CNY

  • Detail
  • Aldrich

  • (B22704)  N-Benzylglycineethylester  97%

  • 6436-90-4

  • B22704-50G

  • 1,832.22CNY

  • Detail

6436-90-4SDS

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 N-Benzylglycine ethyl ester

1.2 Other means of identification

Product number -
Other names ethyl 2-(benzylamino)acetate

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:6436-90-4 SDS

6436-90-4Relevant academic research and scientific papers

Novel KRAS G12C protein inhibitor as well as preparation method and application thereof

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Paragraph 0448-0451, (2021/03/24)

The invention belongs to the field of medicinal chemistry, and relates to a novel KRAS G12C protein inhibitor as well as a preparation method and application thereof. Specifically, the invention provides a compound with a structure as shown in a formula I, and the compound can be used as an efficient KRAS G12C protein inhibitor and has various pharmacological activities of resisting tumors, proliferative diseases, inflammation, autoimmune diseases and the like.

EIF4E INHIBITORS AND USES THEREOF

-

Paragraph 00337; 00363; 00373, (2021/09/11)

The present invention provides compounds inhibiting elF4E activity and compositions and methods of using thereof.

N-benzyl glycine ethyl ester preparation and purification method

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Paragraph 0034-0039; 0041-0043, (2020/02/14)

The invention provides an N-benzyl glycine ethyl ester preparation and purification method, which comprises: preparing a N-benzyl glycine ethyl ester hydrochloride, wherein benzylamine and halogenatedethyl acetate are taken, and are subjected to a room temperature stirring reaction in an organic solvent, water is added after the HPLC detection results show that the reaction is completed, extracting is performed, an organic mixed solution of hydrochloric acid is added into the organic layer in a dropwise manner, the pH value is adjusted to 1-2, the solid is precipitated, and filtering and drying are performed; and adding water into the N-benzyl glycine ethyl ester hydrochloride, carrying out stirring dissolving, adjusting the pH value to 7-8 by using an alkali, adding an organic solvent, extracting, drying the organic layer by using anhydrous sodium sulfate, filtering, and carrying out pressure reducing concentrating to achieve a dry state so as to obtain the product N-benzyl glycine ethyl ester hydrochloride. The preparation method of the invention is simple in process operation, high in product yield, high in product purity and easy for industrial production.

Structure-property relationship study of n-(hydroxy)peptides for the design of self-assembled parallel β-sheets

Roche, Stéphane P.,Richaud, Alexis D.

, p. 12329 - 12342 (2020/11/10)

The design of novel and functional biomimetic foldamers remains a major challenge in creating mimics of native protein structures. Herein, we report the stabilization of a remarkably short β-sheet by incorporating N-(hydroxy)glycine (Hyg) residues into the backbone of peptides. These peptide- peptoid hybrids form unique parallel β-sheet structures by selfassembly upon hydrogenation. Our spectroscopic and crystallographic data suggest that the local conformational perturbations induced by N-(hydroxy)amides are outweighed by a network of strong interstrand hydrogen bonds.

Selective Functionalization of Aliphatic Amines via Myoglobin-Catalyzed Carbene N-H Insertion

Fasan, Rudi,Sreenilayam, Gopeekrishnan,Steck, Viktoria

, p. 224 - 229 (2020/02/15)

Engineered myoglobins have recently gained attention for their ability to catalyze a variety of abiological carbene transfer reactions including the functionalization of amines via carbene insertion into N-H bonds. However, the scope of myoglobin and other hemoprotein-based biocatalysts in the context of this transformation has been largely limited to aniline derivatives as the amine substrates and ethyl diazoacetate as the carbene donor reagent. In this report, we describe the development of an engineered myoglobin-based catalyst that is useful for promoting carbene N-H insertion reactions across a broad range of substituted benzylamines and α-diazo acetates with high efficiency (82-99percent conversion), elevated catalytic turnovers (up to 7,000), and excellent chemoselectivity for the desired single insertion product (up to 99percent). The scope of this transformation could be extended to cyclic aliphatic amines. These studies expand the biocatalytic toolbox available for the selective formation of C-N bonds, which are ubiquitous in many natural and synthetic bioactive compounds.

Peptide/peptoid hybrid oligomers: The influence of hydrophobicity and relative side-chain length on antibacterial activity and cell selectivity

Frederiksen, Nicki,Hansen, Paul R.,Bj?rkling, Fredrik,Franzyk, Henrik

, (2019/12/26)

Previous optimisation studies of peptide/peptoid hybrids typically comprise comparison of structurally related analogues displaying different oligomer length and diverse side chains. The present work concerns a systematically constructed series of 16 closely related 12-mer oligomers with an alternating cationic/hydrophobic design, representing a wide range of hydrophobicity and differences in relative side-chain lengths. The aim was to explore and rationalise the structure-activity relationships within a subclass of oligomers displaying variation of three structural features: (i) cationic side-chain length, (ii) hydrophobic side-chain length, and (iii) type of residue that is of a flexible peptoid nature. Increased side-chain length of cationic residues led to reduced hydrophobicity till the side chains became more extended than the aromatic/hydrophobic side chains, at which point hydrophobicity increased slightly. Evaluation of antibacterial activity revealed that analogues with lowest hydrophobicity exhibited reduced activity against E. coli, while oligomers with the shortest cationic side chains were most potent against P. aeruginosa. Thus, membrane-disruptive interaction with P. aeruginosa appears to be promoted by a hydrophobic surface of the oligomers (comprised of the aromatic groups shielding the cationic side chains). Peptidomimetics with short cationic side chains exhibit increased hemolytic properties as well as give rise to decreased HepG2 (hepatoblastoma G2 cell line) cell viability. An optimal hydrophobicity window could be defined by a threshold of minimal hydrophobicity conferring activity toward E. coli and a threshold for maximal hydrophobicity, beyond which cell selectivity was lost.

Carbene Transfer and Carbene Insertion Reactions Catalyzed by a Mixed-Ligand Copper(I) Complex

Brenna, Stefano,Ardizzoia, G. Attilio

, p. 3336 - 3342 (2018/07/13)

The catalytic activity of the mixed-ligand copper(I) complex [Cu(PPh3)2(κ2-O,O"-lact)] (1) {lact = l-(+)-lactate} has been investigated in carbene transfer and carbene insertion reactions. Complex 1 catalytically promoted the diastereoselective cyclopropanation of olefins in the presence of ethyl diazoacetate (EDA), under mild conditions, and with a low catalyst loading (1 mol-%). In the case of internal alkenes, a trans/cis ratio of up to 93:7 was reached. Moreover, compound 1 easily promoted the insertion of the carbene fragment deriving from the decomposition of ethyl diazoacetate into O–H (alcohols and phenols) and N–H (amine) bonds, with formation of the corresponding ethyl 2-alkoxyacetate, ethyl 2-phenoxyacetate, and ethyl 2-aminoacetate derivatives in good to high yields.

Oxoindolespiro tetrahydrofuran fluoride, crystal, preparation method and application thereof

-

Paragraph 0047; 0049-0051, (2018/09/12)

The invention discloses oxoindolespiro tetrahydrofuran fluoride and a preparation method thereof. The structural formula of oxoindolespiro tetrahydrofuran fluoride is shown as formula I. The inventionfurther discloses a crystal form of a compound shown as the formula I, the crystal form is a monoclinic system, cell parameters include that a=9.09964(19) angstrom, b=9.3177(3) angstrom, c=15.6040(4)angstrom, alpha is equal to 90 degrees, beta is equal to 99.228 (2) degrees, and gamma is equal to 90 degrees; space group is P21, Z=2, and cell volume is 1305.91(6) angstrom. The invention further discloses a preparation method of the crystal form, the compound or the crystal form thereof or a solvate thereof or application of pharmaceutically acceptable salt thereof in preparing antitumor drug.

With the biological activity of 5, 6, 7, 8 - tetrahydro-pyrido [3, 4 - d] pyrimidine compound and its preparation method and application (by machine translation)

-

Paragraph 0024-0027, (2017/08/02)

The invention discloses a has biological activity of 5, 6, 7, 8 - tetrahydro-pyrido [3, 4 - d] pyrimidine compound and its preparation method and application, which belongs to the with anti-tumor activity to the technical field of the synthesis of the compounds. The technical scheme of the present invention is to point: has biological activity of 5, 6, 7, 8 - tetrahydro-pyrido [3, 4 - d] pyrimidine compound, has the following structure:, wherein R1 For the ethyl carboxylic acid ester, ethylamine methyl, formyl methyl amine, dimethyl amino formyl, pyridine - 3 - methylene amino formyl, piperidine a acyl or anilino formyl, R2 For hydrogen or phenmethyl. The invention also discloses the has biological activity of 5, 6, 7, 8 - tetrahydro-pyrido [3, 4 - d] pyrimidine compound of preparation method and the preparation of anti-mammary tumor application of the medicament. The process of preparing the process is simple, easy to control, the target product high yield and good repeatability, prepared with anti-tumor activity of 5, 6, 7, 8 - tetrahydro-pyrido [3, 4 - d] pyrimidine compounds are all on breast cancer cell MCF - 7 has definite inhibitory effect. (by machine translation)

Sulfamide derivative and application thereof

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Paragraph 0172; 0173, (2017/08/29)

The invention relates to a sulfamide derivative and a pharmaceutical composition comprising the compound as well as use of the sulfamide derivative and the pharmaceutical composition as a preparation drug, in particular, use of a drug for preparing a BCL-2 family protein antagonist and use of the drug for treating cancers.

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