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Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl, with the molecular formula C10H13NO2·HCl, is a chemical compound derived from 3-amino-3-(4-fluorophenyl)propanoic acid, commonly known as fluphenazine. It is utilized in the pharmaceutical industry as a precursor or intermediate in the synthesis of various medications and may also have potential applications in organic chemistry and chemical research.

181519-32-4

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181519-32-4 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl is used as a precursor or intermediate for the synthesis of various medications, contributing to the development of new therapeutic agents.
Used in Organic Chemistry:
Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl is used as a chemical intermediate in organic chemistry, facilitating the synthesis of complex organic compounds and aiding in research and development of novel chemical entities.
Used in Chemical Research:
Methyl 3-amino-3-(4-fluorophenyl)propanoate HCl is employed in chemical research to explore its properties, reactivity, and potential applications in the synthesis of pharmaceuticals and other organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 181519-32-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,1,5,1 and 9 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 181519-32:
(8*1)+(7*8)+(6*1)+(5*5)+(4*1)+(3*9)+(2*3)+(1*2)=134
134 % 10 = 4
So 181519-32-4 is a valid CAS Registry Number.

181519-32-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-amino-3-(4-fluorophenyl)propionic acid methyl ester

1.2 Other means of identification

Product number -
Other names methyl 3-amino-3-(4-fluorophenyl)propanoate

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:181519-32-4 SDS

181519-32-4Relevant academic research and scientific papers

From bead to flask: Synthesis of a complex β-amido-amide for probe-development studies

Martin, Kevin S.,Soldi, Cristian,Candee, Kellan N.,Wettersten, Hiromi I.,Weiss, Robert H.,Shaw, Jared T.

supporting information, p. 260 - 264 (2013/03/29)

A concise synthesis of benzimidazole-substituted β-amido-amide LLW62 is presented. The original synthesis of compounds related to LLW62 was developed on Rink resin as part of a "one-bead, one-compound" combinatorial approach for on-bead screening purposes. The current synthesis is carried out in solution and is amenable to scale-up for follow-up studies on LLW62 and investigations of related structures. The key step involves the use of a β-amino acid-forming three-component reaction (3CR), the scope of which defines its role in the synthetic strategy.

Stereoselective chemoenzymatic preparation of β-amino esters: Molecular modelling considerations in lipase-mediated processes and application to the synthesis of (S)-dapoxetine

Rodriguez-Mata, Maria,Garcia-Urdiales, Eduardo,Gotor-Fernandez, Vicente,Gotor, Vicente

supporting information; experimental part, p. 395 - 406 (2010/06/15)

A wide range of optically active 3-amino-3-arylpropanoic acid derivatives have been prepared by means of a stereoselective chemoenzymatic route. The key step is the kinetic resolution of the corresponding β-amino esters. Although the enzymatic acylations of the amino group with ethyl methoxyacetate showed synthetically useful enantioselectivities, the hydrolyses of the ester group catalyzed by lipase from Pseudomonas cepacia have been identified as the optimal processes concerning both activity and enantioselectivity. The enantiopreference of this lipase in these reactions has been explained, at the molecular level, by using a fragment-based approach in which the most favoured binding site for a phenyl ring and the most stable conformation of the 3-aminopropanoate core nicely match the (S)-configuration of the major products. The conversion and enantioselectivity values of the enzymatic reactions have been compared in order to understand the influence of the different substitution patterns present in the phenyl ring. This chemoenzymatic route has been successfully applied to the preparation of a valuable intermediate in the synthesis of (S)-dapoxetine, which has been chemically synthesised in excellent optical purity.

Synthesis, in vitro and in vivo biological evaluation, and comprehensive understanding of structure-activity relationships of dipeptidyl boronic acid proteasome inhibitors constructed from β-amino acids

Zhu, Yongqiang,Wu, Gang,Zhu, Xinrong,Ma, Yuheng,Zhao, Xin,Li, Yuejie,Yuan, Yunxia,Yang, Jie,Yu, Sen,Shao, Feng,Lei, Meng

supporting information; experimental part, p. 8619 - 8626 (2011/03/20)

An extensive structure-activity relationship (SAR) study of 72 dipeptidyl boronic acid proteasome inhibitors constructed fromβ -amino acids is reported. SAR analysis revealed that bicyclic groups at the R1 position, 3-F substituents at the Rsu

Substituted β-alanine derivatives as cell adhesion inhibitors

-

, (2008/06/13)

β-Alanine derivatives of Formula I are antagonists of VLA-4 and/or α4β7, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of asthma, allergies, inflammation, multiple sclerosis, and other inflammatory and autoimmune disorders.

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