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Diethyl 2-acetamido-2-phenethyl-propanedioate, also known as Diethyl (Acetylamino)(2-phenylethyl)malonate, is a chemical compound with a complex structure that plays a significant role in the synthesis of various pharmaceuticals and organic compounds. It is characterized by its ability to form esters and its reactivity in organic synthesis processes.

5463-92-3

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5463-92-3 Usage

Uses

Used in Pharmaceutical Industry:
Diethyl 2-acetamido-2-phenethyl-propanedioate is used as an intermediate in the synthesis of pharmaceutical compounds for [application reason]. Its unique structure allows it to be a key component in the creation of various drugs, contributing to the development of new treatments and therapies.
Used in Organic Synthesis:
In the field of organic chemistry, diethyl 2-acetamido-2-phenethyl-propanedioate is used as a building block for the preparation of complex organic molecules. Its reactivity and functional groups make it a valuable asset in the synthesis of a wide range of compounds, including those with potential applications in various industries.
Used in the Preparation of 2-amino-2-[2-[4''-(2-ethyl-4-oxazolyl)[1,1''-biphenyl]-4-yl]ethyl]-1,3-propanediol:
Specifically, diethyl 2-acetamido-2-phenethyl-propanedioate is utilized in the preparation of 2-amino-2-[2-[4''-(2-ethyl-4-oxazolyl)[1,1''-biphenyl]-4-yl]ethyl]-1,3-propanediol, a compound with potential applications in various fields. Its role in this synthesis process highlights its importance in the development of new and innovative materials.

Check Digit Verification of cas no

The CAS Registry Mumber 5463-92-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,6 and 3 respectively; the second part has 2 digits, 9 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 5463-92:
(6*5)+(5*4)+(4*6)+(3*3)+(2*9)+(1*2)=103
103 % 10 = 3
So 5463-92-3 is a valid CAS Registry Number.
InChI:InChI=1/C17H23NO5/c1-4-22-15(20)17(18-13(3)19,16(21)23-5-2)12-11-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,18,19)

5463-92-3SDS

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 diethyl 2-acetamido-2-(2-phenylethyl)propanedioate

1.2 Other means of identification

Product number -
Other names 2-acetylamino-2-phenylethylmalonic acid diethyl ester

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:5463-92-3 SDS

5463-92-3Relevant academic research and scientific papers

Preparation method of pusaimode (Chinese name)

-

Paragraph 0064-0066; 0069, (2020/05/29)

The invention discloses a preparation method of pusaimode. Bromo-benzene is used as an initial raw material to prepare pusaimode by adopting a convergent synthesis route. The yield of the preparationmethod is high, the cost is low, the amount of generated waste water, waste gas, and waste solids is low, the operation is convenient, and the application value is high.

Preparation method of aituomode

-

Paragraph 0064; 0066; 0069, (2020/05/29)

The invention discloses a preparation method of aituomode. Bromo-benzene is used as an initial raw material to prepare aituomode by adopting a convergent synthesis route. The yield of the preparationmethod is high, the cost is low, the amount of generated waste water, waste gas, and waste solids is low, the operation is convenient, and the application value is high.

Preparation method of aituomode

-

Paragraph 0055-0056; 0060, (2020/05/29)

The invention discloses a preparation method of aituomode. Bromo-benzene and benzene are used as initial raw materials to prepare aituomode by adopting a convergent synthesis route. The yield of the preparation method is high, the cost is low, the amount of generated waste water, waste gas, and waste solids is low, the operation is convenient, and the application value is high.

Preparation method of pusaimode (Chinese name)

-

Paragraph 0054; 0055; 0059, (2020/05/29)

The invention discloses a preparation method of pusaimode. Bromo-benzene and benzene are used as initial raw materials to prepare pusaimode by adopting a convergent synthesis route. The yield of the preparation method is high, the cost is low, the amount of generated waste water, waste gas, and waste solids is low, the operation is convenient, and the application value is high.

Containing five-membered amino propylene glycol compound, its preparation method and medical use thereof

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Paragraph 0126; 0129-0133, (2019/04/29)

The present invention relates to a class of five-membered aromatic heterocycle-containing amino propanediol compounds, a preparation method, drug compositions containing the compounds, and pharmaceutical preparations thereof, and uses of the compounds as

Discovery of oxazole and triazole derivatives as potent and selective S1P1 agonists through pharmacophore-guided design

Tian, Yulin,Jin, Jing,Wang, Xiaojian,Hu, Jinping,Xiao, Qiong,Zhou, Wanqi,Chen, Xiaoguang,Yin, Dali

, p. 1 - 15 (2014/08/18)

We have discovered a series of triazole/oxazole-containing 2-substituted 2-aminopropane-1,3-diol derivatives as potent and selective S1P1 agonists (prodrugs) based on pharmacophore-guided rational design. Most compounds showed high affinity and

Practical synthesis of fingolimod from diethyl acetamidomalonate

Kandagatla, Bhaskar,Prasada Raju, Vetukuri Venkata Naga Kali Vara,Kumar, Narayana Sravan,Reddy, Ganta Madhusudhan,Srinivas, Katkam,Iqbal, Javed,Bandichhor, Rakeshwar,Oruganti, Srinivas

, p. 9687 - 9689 (2013/09/02)

A facile six-step synthesis of fingolimod, starting from readily available and inexpensive starting material diethyl acetamidomalonate, in very good yield is demonstrated.

New anthranilic acid based antagonists with high affinity and selectivity for the human cholecystokinin receptor 1 (hCCK1-R)

Pavan, Michela V.,Lassiani, Lucia,Berti, Federico,Stefancich, Giorgio,Ciogli, Alessia,Gasparrini, Francesco,Mennuni, Laura,Ferrari, Flora,Escrieut, Chantal,Marco, Esther,Makovec, Francesco,Fourmy, Daniel,Varnavas, Antonio

experimental part, p. 5769 - 5785 (2011/10/09)

The anthranilic acid diamides represent the most recent class of nonpeptide CCK1 receptor (CCK1-R) antagonists. Herein we describe the second phase of the anthranilic acid C-terminal optimization using nonproteinogenic amino acids containing a phenyl ring in their side chain. The Homo-Phe derivative 2 (VL-0797) enhanced 12-fold the affinity for the rat CCK1-R affinity and 15-fold for the human CCK1-R relative to the reference compound 12 (VL-0395). The eutomer of 2 (6) exhibited a nanomolar range affinity toward the human CCK1-R and was at least 400-fold selective for the CCK1-R over the CCK2-R. Molecular docking in the modeled CCK1-R and its validation by site-directed mutagenesis experiments showed that the 6 binding site overlaps that occupied by the C-terminal bioactive region of the natural agonist CCK. Owing to their interesting properties, new compounds provided by this study represent a solid basis for further advances aimed at synthesis of clinically valuable CCK1-R antagonists.

Concise synthesis and enzymatic resolution of L-(+)-homophenylalanine hydrochloride

Zhao, Hua,Luo, Robert G.,Wei, Dean,Malhotra, Sanjay V.

, p. 1 - 3 (2007/10/03)

The N-acetyl-homophenylalanine ethyl ester was synthesized by a simple three-step-reaction strategy. L-(+)-homophenylalanine hydrochloride with 98% ee was obtained through a kinetic resolution process using industrial enzyme alcalase. Compared with other

Synthesis and immunosuppressive activity of 2-substituted 2- aminopropane-1,3-diols and 2-aminoethanols

Kiuchi, Masatoshi,Adachi, Kunitomo,Kohara, Toshiyuki,Minoguchi, Masanori,Hanano, Tokushi,Aoki, Yoshiyuki,Mishina, Tadashi,Arita, Masafumi,Nakao, Noriyoshi,Ohtsuki, Makio,Hoshino, Yukio,Teshima, Koji,Chiba, Kenji,Sasaki, Shigeo,Fujita, Tetsuro

, p. 2946 - 2961 (2007/10/03)

A series of 2-substituted 2-aminopropane-1,3-diols was synthesized and evaluated for their lymphocyte-decreasing effect and immunosuppressive effect on rat skin allograft. A phenyl ring was introduced into the alkyl chain of the lead compound 3, which is an immunosuppressive agent structurally simplified from myriocin (1, ISP-I) via compound 2. The potency of the various compounds was dependent upon the position of the phenyl ring within the alkyl side chain. The most suitable length between the quaternary carbon atom and the phenyl ring was two carbon atoms. 2-Substituted 2-aminoethanols were successively synthesized and evaluated for their T-cell-decreasing effect and immunosuppressive effect using a popliteal lymph node gain assay in rats. The absolute configuration at the quaternary carbon affected the activity, and the (pro-S)-hydroxymethyl group of compound 6 was essential for potent immunosuppressive activity. Favorable substituents for the (pro-R)- hydroxymethyl group of 6 were hydroxyalkyl (hydroxyethyl and hydroxypropyl) or lower alkyl (methyl and ethyl) groups. 2-Amino-2-[2-(4- octylphenyl)ethyl]propane-1,3-diol hydrochloride (6, FTY720) was found to possess considerable activity and is expected to be useful as an immunosuppressive drug for organ transplantation.

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