361345-37-1

Basic information

• Product Name: 4-(4-Boc-piperazin-1-yl)-3-methylaniline
• Synonyms: 4-(4-Boc-piperazin-1-yl)-3-methylaniline;tert-butyl 4-(4-amino-2-methylphenyl)piperazine-1-carboxylate
• CAS NO: 361345-37-1
• Molecular Formula: C16H25N3O2
• Molecular Weight: 291.39
• Mol File: 361345-37-1.mol

Chemical Properties

• Boiling Point: 450.028°C at 760 mmHg
• Flash Point: 225.969°C
• Appearance: /
• Density: 1.127g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.563
• PKA: 7.81±0.10(Predicted)
• CAS DataBase Reference: 4-(4-Boc-piperazin-1-yl)-3-methylaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Boc-piperazin-1-yl)-3-methylaniline(361345-37-1)
• EPA Substance Registry System: 4-(4-Boc-piperazin-1-yl)-3-methylaniline(361345-37-1)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 361345-37-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-(4-Boc-piperazin-1-yl)-3-methylaniline is used as a key intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into complex molecular structures, potentially leading to the development of new drugs with improved therapeutic properties.
Used in Chemical Industry:
In the chemical industry, 4-(4-Boc-piperazin-1-yl)-3-methylaniline is utilized as a precursor in the production of dyes and other organic compounds, taking advantage of its reactive functional groups to form a variety of useful products.
Used in Organic Synthesis:
4-(4-Boc-piperazin-1-yl)-3-methylaniline is used as a building block in organic synthesis for the creation of complex organic molecules, leveraging the Boc protecting group to control the reactivity of the amine group during multi-step synthesis processes.
Used in Research and Development:
4-(4-Boc-piperazin-1-yl)-3-methylaniline is also employed in research and development settings to explore its chemical properties and potential applications, including as a probe in studying the interactions of various functional groups in organic chemistry.

InChI:InChI=1/C16H25N3O2/c1-12-11-13(17)5-6-14(12)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11H,7-10,17H2,1-4H3

Upstream product

• 361345-36-0 tert-butyl 4-(2-methyl-4-nitrophenyl)piperazine-1-carboxylate 
• 7149-70-4 2-bromo-5-nitrotoluene 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 455-88-9 5-nitro-2-fluorotoluene 

Downstream Products

• 808196-28-3 tert-butyl 4-(4-iodo-2-methylphenyl)piperazine-1-carboxylate 

Relevant articles and documents

PYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF

The present invention discloses a pyrimidine compound, a preparation method thereof and a medical use thereof. Specifically, the present invention discloses a pyrimidine compound represented by formula (I), pharmaceutically acceptable salts thereof, a preparation method thereof, and a use thereof as a cyclin-dependent kinase 9 (CDK9) inhibitor, particularly for the treatment of cancer. The definition of each group in formula (I) is the same as that in the specification.

Discovery of benzo[d]oxazole derivatives as the potent type-I FLT3-ITD inhibitors

Fms-like tyrosine kinase 3 (FLT3) has been considered as a potential drug target for the treatment of acute myeloid leukemia (AML), because of its high and aberrant expression in AML patients, especially the patients with FLT3-ITD mutation. Initiating from a hit compound (IC50: 500 nM against FLT3-ITD), a series of compounds were designed and synthesized based on benzo[d]oxazole-2-amine scaffold to discover new potent FLT3-ITD inhibitors. During the medicinal chemistry works, flexible molecular docking was used to provide design rationale and study the binding modes of the target compounds. Through the mixed SAR exploration based on the enzymatic and cellular activities, compound T24 was identified with potent FLT3-ITD inhibitory (IC50: 0.41 nM) and anti-proliferative (IC50: 0.037 μM against MV4-11 cells) activities. And the binding mode of T24 with “DFG-in” FLT3 was simulated by a 20-ns molecular dynamics run, providing some insights into further medicinal chemistry efforts toward novel FLT3 inhibitors in AML therapy.

Thiazolidine derivatives or salts thereof as an active ingredient an inhibitor Pim

PROBLEM TO BE SOLVED: To provide compounds which have excellent Pim inhibitory action and are useful as pharmaceuticals.SOLUTION: A compound is a thiazolidine derivative represented by the general formula (1) in the figure, or a salt thereof. (In the formula, X represents O or S; Rrepresents a hydrogen atom or a Calkyl group; Z, Z, Z, Z, Zand Zeach independently represent CH or N; Y represents an optionally substituted, divalent Caromatic hydrocarbon group or the like; Am represents a disubstituted amino group, or an optionally substituted, nitrogen-containing saturated heterocyclic group; and Rand Reach independently represent a hydrogen atom, a halogen atom, an alkyl group or the like.)

PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS

The present invention relates to compounds that are useful as inhibitors of the activity of Wee-1 kinase. The present invention also relates to pharmaceutical compositions comprising these compounds and to methods of using these compounds in the treatment of cancer and methods of treating cancer.

BICYCLIC INHIBITORS OF ALK

The present invention relates to compounds of formula (1) or pharmaceutical acceptable salts, wherein R1, X, Y, Z, A, B, G1, and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as ALK and methods of treating diseases such as cancer.

BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES

Compounds of formula (I) or pharmaceutical acceptable salts are provided, wherein X1~X5, R1~R3, A, B, Z and n are defined in the description. And compositions containing said compounds, and the uses for inhibitors of kinases such as ALK, and the uses for treating cancer thereof are provided.

The identification and optimisation of novel and selective diamide neuropeptide Y Y2 receptor antagonists

A novel small molecule NPY Y2 antagonist (3) identified from high throughput screening is described. A subsequent SAR study and optimisation programme based around this molecule is also described, leading to the identification of potent and soluble pyridyl analogue 36.

4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE

This invention relates to certain pyrimidine derivative inhibitors of JAK-2, having Formula (I): wherein D, E, L, Z, R1, R2, R25, and n1 are as defined in the specification, pharmaceutically acceptable salts thereof, pharmaceutical compositions thereof, and methods of use thereof.

Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines

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Benzenesulfonamide-derivatives and their use as medicaments

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