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4-(2-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is an organic compound that serves as an intermediate in the synthesis of pharmaceuticals, particularly in the production of Vortioxetine Hydrobromide. It is characterized by its chemical structure, which includes a bromophenyl group and a piperazine-1-carboxylic acid tert-butyl ester group, contributing to its reactivity and utility in the pharmaceutical industry.

494773-35-2

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494773-35-2 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a key intermediate in the synthesis of Vortioxetine Hydrobromide, a drug prescribed for the treatment of depression. It plays a crucial role in the development of this medication due to its chemical properties that facilitate the formation of the final drug product.
Application Reason:
The use of 4-(2-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER in the synthesis of Vortioxetine Hydrobromide is driven by its ability to react with other compounds to form the desired active pharmaceutical ingredient. Its specific chemical structure allows for the creation of Vortioxetine Hydrobromide, which has been proven effective in managing depressive disorders.

Check Digit Verification of cas no

The CAS Registry Mumber 494773-35-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,9,4,7,7 and 3 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 494773-35:
(8*4)+(7*9)+(6*4)+(5*7)+(4*7)+(3*3)+(2*3)+(1*5)=202
202 % 10 = 2
So 494773-35-2 is a valid CAS Registry Number.

494773-35-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl 4-(2-bromophenyl)piperazine-1-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 4-(2-bromophenyl)piperazine-1-carboxylate

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:494773-35-2 SDS

494773-35-2Relevant academic research and scientific papers

Synthesis and structure–activity relationship studies of LLY-507 analogues as SMYD2 inhibitors

Zhang, Bin,Liao, Liping,Wu, Fan,Zhang, Fengcai,Sun, Zhongya,Chen, Haijun,Luo, Cheng

supporting information, (2020/10/12)

SET and MYND domain-containing protein 2 (SMYD2), a lysine methyltransferase, is reported to catalyze the methylation of lysine residues on histone and non-histone proteins. As a potential target for cancer therapy, there are several SMYD2 inhibitors are reported, LLY-507 as a cell-active inhibitor exhibits submicromolar potency against SMYD2 in several cancer cell lines. To know which structural fragment of LLY-507 is suitable for chemical modification, three sites are chosen for structure–activity relationship studies (SARs). Among our focused library, compounds 43 and 44 with amide link on site C showed reasonably improved potency indicating that modification on this fragment is more flexible and introduction of electrophilic warheads in this position might provide lysine-targeting covalent inhibitors for SMYD2.

PYRIDAZINONES AND METHODS OF USE THEREOF

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Page/Page column 230; 231, (2019/04/11)

Disclosed are compounds according to Formula (A), and related tautomers and pharmaceutical compositions. Also disclosed are therapeutic methods, e.g., of treating kidney diseases, using the compounds of Formula (A).

Preparation method of vortioxetine

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Paragraph 0033; 0047-0048; 0053-0054; 0059-0060; 0065-0066, (2019/10/01)

The invention relates to the field of medicines, in particular to a preparation method of vortioxetine. The preparation method comprises the steps that 2-bromoiodobenzene, N-phenoxycarbonyl piperazineand tert butyl alcohol are subjected to condensation to form an intermediate 1, that is a mixture of 4-(2-bromine phenyl) piperazine-1-tertiary butyl carboxylate and 1-(2-bromine phenyl) piperazine;the intermediate 1 and 2,4-dimethyl phenylthiophenol are subjected to condensation to form an intermediate 2, that is a mixture of N-Boc-vortioxetine and vortioxetine; the N-Boc-vortioxetine in the intermediate 2 is subjected to Boc protecting group removal, and then a crude vortioxetine product is formed through alkalization, and the crude vortioxetine product is subjected to salinization, purification and alkaline dissociation to obtain the vortioxetine. The method has the advantages that the raw materials are simple and easy to obtain, the product has high yield and high purity, and the method is suitable for industrial production.

NEW VORTIOXETINE INTERMEDIATE AND SYNTHESIS PROCESS THEREOF

-

, (2017/04/12)

The present invention provides a new intermediate II and a method for synthesizing the same. The method comprises: (a) firstly diazotizing a compound of formula I as a raw material, and then halogenating to obtain an intermediate II; and (b) reacting the

SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1

-

Paragraph 00290, (2016/04/26)

Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

Synthesis of ortho -haloaminoarenes by aryne insertion of nitrogen-halide Bonds

Hendrick, Charles E.,Wang, Qiu

, p. 1059 - 1069 (2015/01/30)

A rapid and general access to ortho-haloaminoarenes has been developed by aryne insertion into N-chloramine, N-bromoamine, and N-iodoamine bonds via two complementary protocols harnessing fluoride-promoted 1,2-elimination of ortho-trimethylsilyl aryltriflates. Typically, electron-deficient N-chloramines effectively react with aryne intermediates generated at elevated temperature with CsF, while less stable N-haloamines are found more efficient under milder, TBAF-mediated aryne formation at room temperature. Both protocols demonstrate a good level of regioselectivity and functional group tolerance. Efforts to elucidate the mechanism of N-X insertion are also discussed. The practical value of this transformation is highlighted by rapid synthesis of novel analogues of the antipsychotic cariprazine.

SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1

-

Paragraph 00717, (2014/07/08)

Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

Palladium-catalyzed monoamination of dihalogenated benzenes

Larsen, Simon Birks?,Bang-Andersen, Benny,Johansen, Tommy N?rskov,J?rgensen, Morten

, p. 2938 - 2950 (2008/09/19)

The palladium-catalyzed monoamination of symmetric dibromobenzenes can be performed using a catalyst based on Pd2dba3 and BINAP in the presence of NaO(t-Bu). The analogous transformation of non-symmetric bromoiodobenzenes is most effectively performed with Xantphos as the ligand, while reactions with BINAP were non-selective. These transformations can be scaled uneventfully to >10 g quantities. They do not require drybox or Schlenk techniques, and all reagents are weighed out in air. The resulting monobromoanilines are versatile intermediates for further synthetic transformations.

5HT7 Antagonists and inverse agonists

-

Page 17-18, (2010/02/09)

The present invention relates to compounds of formula I, and the pharmaceutically acceptable salts thereof. These compounds are useful as psychotherapeutic agents.

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