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4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is a chemical compound with the molecular formula C17H24N2O2. It is a tert-butyl ester derivative of piperidine-1-carboxylic acid, featuring a piperidine core with an attached amino-phenyl group. 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is notable for its potential applications in medicinal chemistry and drug development, owing to the presence of piperidine and amino-phenyl moieties, which are prevalent in numerous bioactive molecules. The tert-butyl ester functional group further enhances its utility as a versatile building block in the synthesis of a variety of chemical compounds. It holds promise for use in academic research and across industrial sectors, particularly within the pharmaceutical and fine chemical industries.

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  • 199105-03-8 Structure
  • Basic information

    1. Product Name: 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: TERT-BUTYL 4-(2-AMINOPHENYL)PIPERIDINE-1-CARBOXYLATE;N-BOC-4(2-AMINOPHENYL) PIPERIDINE;4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(o-AMino-phenyl)-1-N-Boc piperidine;4-(2-Aminophenyl)-1-piperidinecarboxylic acid tert-butyl ester
    3. CAS NO:199105-03-8
    4. Molecular Formula: C16H24N2O2
    5. Molecular Weight: 276.37
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 199105-03-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 391℃
    3. Flash Point: 191℃
    4. Appearance: /
    5. Density: 1.100
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(199105-03-8)
    11. EPA Substance Registry System: 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(199105-03-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 199105-03-8(Hazardous Substances Data)

199105-03-8 Usage

Uses

Used in Medicinal Chemistry:
4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be modified and incorporated into diverse bioactive molecules, leveraging the reactivity of the tert-butyl ester group and the presence of the piperidine and amino-phenyl moieties.
Used in Drug Development:
In the pharmaceutical industry, 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER serves as a structural component in the design of new drug candidates, capitalizing on its potential to interact with biological targets due to the presence of the piperidine ring and the amino-phenyl group, which are common in many therapeutic agents.
Used in Academic Research:
4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is utilized as a research tool in academic chemistry and biology labs for studying the effects of structural modifications on biological activity and for exploring its potential as a precursor in the synthesis of novel compounds with therapeutic relevance.
Used in Fine Chemical Industry:
Within the fine chemical sector, 4-(2-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is employed as a specialty chemical, potentially used in the production of high-value compounds for various applications, including but not limited to fragrances, agrochemicals, and other specialty products that benefit from its unique structural features.

Check Digit Verification of cas no

The CAS Registry Mumber 199105-03-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,9,1,0 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 199105-03:
(8*1)+(7*9)+(6*9)+(5*1)+(4*0)+(3*5)+(2*0)+(1*3)=148
148 % 10 = 8
So 199105-03-8 is a valid CAS Registry Number.

199105-03-8SDS

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-aminophenyl)piperidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:199105-03-8 SDS

199105-03-8Relevant articles and documents

N-(PHENYL)-2-(PHENYL)PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HPK1 INHIBITORS FOR TREATING CANCER

-

Page/Page column 175, (2019/09/12)

The present invention relates to N-(phenyl)-2-(phenyl)pyrimidine-4- carboxamide derivatives and related compounds of formula I as HPK1 (Hematopoietic progenitor kinase 1) inhibitors for treating cancer, such as e.g. breast cancer, colorectal cancer, lung cancer, ovarian cancer, and pancreatic cancer. Preferred compounds are e.g. N-(5-Fluoro-2-(2-(pyridin-2-yl)pyrrolidin-l-yl)phenyl)-2-(2- fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide and N-(5-Fluoro-2- (hexahydropyrrolo[3,4-b]pyrrol-l(2H)-yl)phenyl)-2-(2-fluoro-6- methoxyphenyl)pyrimidine-4-carboxamide.

Practical synthesis of pharmaceutically relevant molecules enriched in sp3 character

Campbell, Peter S.,Jamieson, Craig,Simpson, Iain,Watson, Allan J. B.

, p. 46 - 49 (2017/12/27)

The expedient synthesis of compounds enriched in sp3 character is key goal in modern drug discovery. Herein, we report how a single pot Suzuki-Miyaura-hydrogenation can be used to furnish lead and fragment-like products in good to excellent yields. The approach has been successfully applied in formats amenable to parallel synthesis, in an asymmetric sense, and in the preparation of molecules with annotated biological activity.

SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1

-

, (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.

ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF

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Page/Page column 119, (2008/12/05)

The present invention relates to novel Anilinopiperazine Derivatives of Formula (I), compositions comprising the Anilinopiperazine Derivatives, and methods for using the Anilinopiperazine Derivatives for treating or preventing a proliferative disorder, cancer, an anti-proliferative disorder, inflammation, arthritis, a central nervous system disorder, a cardiovascular disease, alopecia, a neuronal disease, an ischemic injury, a viral disease, a fungal infection, or a disorder related to the activity of a protein kinase.

Substituted piperidines and methods of use

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Page 34, (2010/02/05)

Selected substituted piperidine compounds are effective for prophylaxis and treatment of diseases, such as obesity and the like. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving activation of the melanocortin receptor. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS

-

, (2008/06/13)

A compound of formula I wherein: R is alkyl; R1 is optionally substituted phenyl 2-oxo-tetrahydro-1(2H)-pyrimidinyl, or 2-oxo-1-piperidinyl; R2 is hydrogen, alkoxy, alkanoyloxy, alkoxycarbonyl, alkanoylamino, acyl, alkyl, carbamoyl, N-alkylcarbamoyl, N,N-dialkylcarbamoyl where the alkyl groups are the same or different, hydroxy, thioacyl, thiocarbamoyl, N-alkylthiocarbamoyl, or N,N-dialkylthiocarbamoyl where the alkyl groups are the same or different. X1 and X2 are independently hydrogen or halo, provided that at least one of X1 or X2 is halo; and R3, R4, R5 and R6 are independently hydrogen, cyano, nitro, trifluoromethoxy, trifluoromethyl, or alkylsulfonyl are antagonists of at least one tachykinin receptor and are useful in the treatment of depression, anxiety, asthma, pain, inflammation, urinary incontinence and other disease conditions. Process for their preparation are described, as are compositions containing them and their use.

Serine derived NK1 antagonists 2: A pharmacophore model for arylsulfonamide binding

Elliott,Broughton,Cascieri,Chicchi,Huscroft,Kurtz,MacLeod,Sadowski,Stevenson

, p. 1851 - 1856 (2007/10/03)

Modifications to the spirocyclic aryl sulfonamide portion of serine derived NK1 antagonists allow a partial pharmacophore model to be developed.

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