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4-(2-Amino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is a chemical compound that belongs to the group of piperazines. Piperazines are compounds containing a piperazine moiety, which is a six-membered heterocyclic ring with two nitrogen atoms at opposite positions, usually in organic compounds. This chemical is generally used in the formation of other complex compounds and serves as a building block in pharmaceutical and medicinal chemistry. The presence of the amino-phenyl and the tert-butyl ester group makes 4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER particularly reactive, usually involved in various synthesis processes.

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  • 170017-74-0 Structure
  • Basic information

    1. Product Name: 4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: TERT-BUTYL 4-(2-AMINOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-4-(2-AMINOPHENYL)-PIPERAZINE;tert-Butyl-4-(2-aminophenyl)tetrahydro-1(2H)-pyrazine carboxylate 97%;2-(4-Boc-piperazin-1-yl)aniline;Tert-butyl4-(2-aminophenyl)piperazine-1-carboxylate;4-(2-Aminophenyl)piperazine, N1-BOC protected;tert-Butyl 4-(2-aminophenyl)piperazine-1-carboxylate, 2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]aniline
    3. CAS NO:170017-74-0
    4. Molecular Formula: C15H23N3O2
    5. Molecular Weight: 277.36
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 170017-74-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 416.3 °C at 760 mmHg
    3. Flash Point: 205.6 °C
    4. Appearance: /Solid
    5. Density: 1.145 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.567
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 6.91±0.10(Predicted)
    11. CAS DataBase Reference: 4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(170017-74-0)
    13. EPA Substance Registry System: 4-(2-AMINO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(170017-74-0)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 25
    3. Safety Statements: 45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 170017-74-0(Hazardous Substances Data)

170017-74-0 Usage

Uses

Used in Pharmaceutical Industry:
4-(2-Amino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is used as a building block for the synthesis of complex compounds, particularly in the development of new pharmaceuticals. Its reactivity and structural features make it a valuable component in the creation of potential drug candidates.
Used in Medicinal Chemistry:
4-(2-Amino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester is used as a key intermediate in the synthesis of various bioactive molecules. Its presence in the molecular structure can contribute to the overall activity and properties of the final product, making it an essential component in medicinal chemistry research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 170017-74-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,0,0,1 and 7 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 170017-74:
(8*1)+(7*7)+(6*0)+(5*0)+(4*1)+(3*7)+(2*7)+(1*4)=100
100 % 10 = 0
So 170017-74-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-7-5-4-6-12(13)16/h4-7H,8-11,16H2,1-3H3

170017-74-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Boc-4-(2-Aminophenyl)piperazine

1.2 Other means of identification

Product number -
Other names tert-butyl 4-(2-aminophenyl)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:170017-74-0 SDS

170017-74-0Relevant articles and documents

Synthesis and structure-activity relationships of new 2-phenoxybenzamides with antiplasmodial activity

Dolensky, Johanna,Hermann, Theresa,Hochegger, Patrick,Kaiser, Marcel,M?ser, Pascal,Pferschy-Wenzig, Eva-Maria,Saf, Robert,Seebacher, Werner,Weis, Robert

, (2021/11/08)

The 2-phenoxybenzamide 1 from the Medicines for Malaria Venture Malaria Box Project has shown promising multi-stage activity against different strains of P. falciparum. It was successfully synthesized via a retrosynthetic approach. Subsequently, twenty-one new derivatives were prepared and tested for their in vitro activity against blood stages of the NF54 strain of P. falciparum. Several insights into structure-activity relationships were revealed. The antiplasmodial activity and cytotoxicity of compounds strongly depended on the substitution pattern of the anilino partial structure as well as on the size of substituents. The diaryl ether partial structure had further impacts on the activity. Additionally, several physicochemical and pharmacokinetic parameters were calculated (log P, log D7.4 and ligand efficiency) or determined experimentally (passive permeability and CYP3A4 inhibition). The tert-butyl-4-{4-[2-(4-fluorophenoxy)-3-(trifluoromethyl)benzamido]phenyl}piperazine-1-carboxylate possesses high antiplasmodial activity against P. falciparum NF54 (PfNF54 IC50 = 0.2690 μM) and very low cytotoxicity (L-6 cells IC50 = 124.0 μM) resulting in an excellent selectivity index of 460. Compared to the lead structure 1 the antiplasmodial activity was improved as well as the physicochemical and some pharmacokinetic parameters.

PYRROLE mTORC INHIBITORS AND USES THEREOF

-

, (2020/01/12)

The present invention provides compounds, compositions thereof, and methods of using the same.

PYRROLE mTORC INHIBITORS AND USES THEREOF

-

, (2018/05/27)

The present invention provides compounds, compositions thereof, and methods of using the same.

COMPOUND SUITABLE FOR DETECTION OF VESICULAR ACETYLCHOLINE TRANSPORTER

-

, (2018/09/27)

PROBLEM TO BE SOLVED: To provide a compound suitable for detection of vesicular acetylcholine transporter which can be also used as a compound labeled in PET method. SOLUTION: The present invention provides a compound represented by formula (I), where Rs

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

Suitable for vesicle acetylecholine translocator detection compound (by machine translation)

-

, (2016/10/07)

The present invention provides a compound represented by formula (I), wherein in formula (I), R 1 represents CH 3 , F, (CH 2 ) n -F, NH-(CH 2 ) n -F, O-(CH 2 ) n -F or S-(CH 2 ) n -F, and n represents an integer of 1 to 3.

SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENYL)ANILINE INTERMEDIATES

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, (2015/08/03)

The present invention provides a new synthetic process for the production of 1-(2-((2,4- dimethylphenyl)thio)phenyl)piperazine (vortioxetine), a drug for the treatment of depression and anxiety, which is conducted via (2-(piperazine-1-yl)phenyl)aniline intermediates.

Synthesis of vortioxetine via (2-(piperazine-1-yl)phenyl)aniline intermediates

-

, (2015/07/22)

The present invention provides a new synthetic process for the production of 1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine (vortioxetine), a drug for the treatment of depression and anxiety, which is conducted via (2-(piperazine-1-yl)phenyl)aniline intermediates.

PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX

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Page/Page column 40, (2013/04/25)

This application features pyrazol-3-one compounds that activate pro-apoptotic BAX. Also featured are methods of using such compounds, e.g., for the treatment or prevention of diseases, disorders, and conditions associated with deregulated apoptosis of cells (e.g., insufficient apoptosis of diseased or damaged cells or essentially the absence of apoptosis of diseased or damaged cells).

PIM KINASE INHIBITORS AND METHODS OF THEIR USE

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Page/Page column 65, (2008/12/07)

New compounds, compositions and methods of inhibition of kinase activity associated with tumorigenesis in a human or animal subject are provided. In certain embodiments, the compounds and compositions are effective to inhibit the activity of at least one serine/threonine kinase or receptor tyrosine kinase. The new compounds and compositions may be used either alone or in combination with at least one additional agent for the treatment of a serine/threonine kinase- or receptor tyrosine kinase- mediated disorder, such as cancer.

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