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Tert-butyl2-(piperazin-1-yl)ethylcarbamate, also known as N-tert-butyl-2-(1-piperazinyl)ethylcarbamate, is a chemical compound characterized by its molecular formula C12H24N4O2. It is a white crystalline solid with a molecular weight of 252.35 g/mol. tert-butyl2-(piperazin-1-yl)ethylcarbamate is recognized for its wide range of pharmacological activities, such as antiviral, antitumor, and anti-inflammatory properties, and is commonly utilized as a pharmaceutical intermediate in the synthesis of various drugs, including antihistamines and antimicrobial agents. Additionally, it serves as a research chemical and a building block in organic synthesis. Due to its potential health hazards, it is crucial to handle and use this compound with appropriate caution.

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  • 112758-89-1 Structure
  • Basic information

    1. Product Name: tert-butyl2-(piperazin-1-yl)ethylcarbamate
    2. Synonyms: 1-Phenyl-1,2,3,4-Tetrahydropyr;1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE);1-phenyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine;1,2,3,4-Tetrahydro-1-phenylpyrrolo[1,2-a]pyrazine
    3. CAS NO:112758-89-1
    4. Molecular Formula: C13H14N2
    5. Molecular Weight: 229.31922
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112758-89-1.mol
  • Chemical Properties

    1. Melting Point: 73-74 °C
    2. Boiling Point: 343°C at 760 mmHg
    3. Flash Point: 161.2°C
    4. Appearance: /
    5. Density: 1.15g/cm3
    6. Vapor Pressure: 7.26E-05mmHg at 25°C
    7. Refractive Index: 1.638
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 6.65±0.40(Predicted)
    11. CAS DataBase Reference: tert-butyl2-(piperazin-1-yl)ethylcarbamate(CAS DataBase Reference)
    12. NIST Chemistry Reference: tert-butyl2-(piperazin-1-yl)ethylcarbamate(112758-89-1)
    13. EPA Substance Registry System: tert-butyl2-(piperazin-1-yl)ethylcarbamate(112758-89-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 112758-89-1(Hazardous Substances Data)

112758-89-1 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl2-(piperazin-1-yl)ethylcarbamate is used as a pharmaceutical intermediate for the synthesis of various drugs, including antihistamines and antimicrobial agents, due to its versatile pharmacological properties.
Used in Research and Development:
tert-butyl2-(piperazin-1-yl)ethylcarbamate is utilized as a research chemical, aiding in the discovery and development of new pharmaceuticals and understanding of biological processes.
Used in Organic Synthesis:
Tert-butyl2-(piperazin-1-yl)ethylcarbamate is employed as a building block in organic synthesis, contributing to the creation of complex organic molecules for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 112758-89-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,7,5 and 8 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 112758-89:
(8*1)+(7*1)+(6*2)+(5*7)+(4*5)+(3*8)+(2*8)+(1*9)=131
131 % 10 = 1
So 112758-89-1 is a valid CAS Registry Number.
InChI:InChI=1/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2

112758-89-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1.2 Other means of identification

Product number -
Other names 1-Phenyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine

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:112758-89-1 SDS

112758-89-1Downstream Products

112758-89-1Relevant articles and documents

A Robust, Recyclable Resin for Decagram Scale Resolution of (±)-Mefloquine and Other Chiral N-Heterocycles

Kreituss, Imants,Chen, Kuang-Yen,Eitel, Simon H.,Adam, Jean-Michel,Wuitschik, Georg,Fettes, Alec,Bode, Jeffrey W.

supporting information, p. 1553 - 1556 (2016/02/12)

Decagram quantities of enantiopure (+)-mefloquine have been produced via kinetic resolution of racemic mefloquine using a ROMP-gel supported chiral acyl hydroxamic acid resolving agent. The requisite monomer was prepared in a few synthetic steps without chromatography and polymerization was safely performed on a >30 gram scale under ambient conditions. The reagent was readily regenerated and reused multiple times for the resolution of 150 grams of (±)-mefloquine and other chiral N-heterocylces.

Substituted Sulfonamide Compounds

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Page/Page column 35-36, (2009/07/25)

Substituted sulfonamide compounds corresponding to the formula I wherein m, n, p, Q, R1, R2, R3, R4, X, Y and Z have the respective meanings defined herein, pharmaceutical compositions containing such compounds, a process for their preparation, and the use of such compounds for the treatment and/or inhibition of pain and other conditions mediated by bradykinin receptor 1 (B1R) and/or bradykinin receptor 2 (B2R).

SUBSTITUTED SULFONAMIDE DERIVATIVES

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Page/Page column 105, (2009/08/16)

The invention relates to substituted sulfonamide derivatives of the general formula (I'); processes for their preparation, medicaments containing these compounds, and the use of substituted sulfonamide derivatives for the preparation of medicaments

HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE

-

Page/Page column 22, (2009/04/24)

The present invention relates to compounds and methods useful as modulators of CB2 for the treatment or prevention of disease states including, but not limited to pain, autoimmune disease, malabsorption syndrome, pulmonary disease, osteoporosis, muscle spasm in cancer, neuromuscular disorder, and atherosclerosis progression.

Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain

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Page/Page column 13-15, (2008/12/06)

Substituted tetrahydropyrrolopyrazine compounds corresponding to the formula I: processes for their preparation, pharmaceutical compositions comprising these compounds and the use of these compounds for the treatment and/or inhibition of pain and other disorders or disease states at least partly mediated by KCNQ2/3 K+ channels.

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