165530-45-0

Basic information

• Product Name: 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 4-(3-CHLOROPROPYL)PIPERAZINE-1-CARBOXYLATE
• CAS NO: 165530-45-0
• Molecular Formula: C₁₂H₂₃ClN₂O₂
• Molecular Weight: 262.78
• Mol File: 165530-45-0.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 339.4°C at 760 mmHg
• Flash Point: 159.1°C
• Appearance: /
• Density: 1.089g/cm³
• Vapor Pressure: 9.22E-05mmHg at 25°C
• Refractive Index: 1.485
• PKA: 6.88±0.10(Predicted)
• CAS DataBase Reference: 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(165530-45-0)
• EPA Substance Registry System: 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(165530-45-0)

Safety Data

• Hazardous Substances Data: 165530-45-0(Hazardous Substances Data)

Usage

General Description

4-(3-chloro-propyl)-piperazine-1-carboxylic acid tert-butyl ester is a chemical compound that is used in the synthesis of pharmaceuticals and organic compounds. It is a tert-butyl ester derivative of piperazine-1-carboxylic acid, which is a cyclic secondary amine. The compound contains a chlorine atom attached to a propyl group, and the tert-butyl ester group is a commonly used protecting group in organic synthesis. 4-(3-CHLORO-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER may be used as a building block for the production of potential drug candidates or as a reagent in organic chemical reactions. Its precise properties and potential applications will depend on the specific context in which it is being used.

InChI:InChI=1/C12H23ClN2O2/c1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-4-5-13/h4-10H2,1-3H3

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 109-70-6 1.3-chlorobromopropane 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 6940-76-7 1-iodo-3-chloro-propane 
• 5292-43-3 bromoacetic acid tert-butyl ester 

Relevant articles and documents

Synthesis and evaluation of tetrahydroisoquinoline derivatives against Trypanosoma brucei rhodesiense

Human African Trypanosomiasis (HAT) is a neglected tropical disease caused by the parasitic protozoan Trypanosoma brucei (T. b.), and affects communities in sub-Saharan Africa. Previously, analogues of a tetrahydroisoquinoline scaffold were reported as having in vitro activity (IC50 = 0.25–70.5 μM) against T. b. rhodesiense. In this study the synthesis and antitrypanosomal activity of 80 compounds based around a core tetrahydroisoquinoline scaffold are reported. A detailed structure activity relationship was revealed, and five derivatives (two of which have been previously reported) with inhibition of T. b. rhodesiense growth in the sub-micromolar range were identified. Four of these (3c, 12b, 17b and 26a) were also found to have good selectivity over mammalian cells (SI > 50). Calculated logD values and preliminary ADME studies predict that these compounds are likely to have good absorption and metabolic stability, with the ability to passively permeate the blood brain barrier. This makes them excellent leads for a blood-brain barrier permeable antitrypanosomal scaffold.

Novel linker compound and Site-Specific compounds of Antibody-Drug Conjugate Comprising the Same

The present invention relates to a novel linker compound, and relates to a site-specific antibody-drug conjugate (ADC) compound comprising the same, a method for manufacturing the same, and an anticancer composition comprising the same as an active component. The linker compound produces a uniform ADC compound with excellent site specificity in manufacturing an ADC compound, and the ADC compound comprising the same exhibits an excellent anticancer effect.COPYRIGHT KIPO 2020

Substituted xanthine compound and its preparation and use (by machine translation)

The invention discloses substituted xanthine compounds, a preparation method and applications thereof, and specifically relates to compounds represented by the formula (I), stereo isomers and pharmaceutically acceptable salts thereof, wherein the R1 and R2 are defined in the description. The invention also relates to a pharmaceutical composition containing the compounds, an application of the pharmaceutical composition in preparation of drugs for treating diseases or symptoms caused by high activity of DPP-IV or overexpression of DPP-IV, and a method using the pharmaceutical composition to treat related diseases. The provided compounds can effectively inhibit the activity of DPP-IV.