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N-t-Butyl-1H-pyrrole-2-carboxamide, also known as t-Bu-Py-2-carboxamide, is a pyrrole derivative with the molecular formula C10H16N2O. It is a white to off-white powder with a molecular weight of 180.25 g/mol. This chemical compound is often used as an intermediate or building block in the synthesis of various pharmaceuticals and agrochemicals. N-t-Butyl-1H-pyrrole-2-carboxamide is also known for its potential pharmacological properties and is considered a valuable tool in drug discovery and development.

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  • 1228957-04-7 Structure
  • Basic information

    1. Product Name: N-t-Butyl-1H-pyrrole-2-carboxamide
    2. Synonyms: N-t-Butyl pyrrole-2-carboxamide;N-t-Butyl-1H-pyrrole-2-carboxamide
    3. CAS NO:1228957-04-7
    4. Molecular Formula: C9H14N2O
    5. Molecular Weight: 166.22026
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1228957-04-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 371.6±15.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.054±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Room temperature.
    8. Solubility: N/A
    9. PKA: 15.54±0.46(Predicted)
    10. CAS DataBase Reference: N-t-Butyl-1H-pyrrole-2-carboxamide(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-t-Butyl-1H-pyrrole-2-carboxamide(1228957-04-7)
    12. EPA Substance Registry System: N-t-Butyl-1H-pyrrole-2-carboxamide(1228957-04-7)
  • 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: 1228957-04-7(Hazardous Substances Data)

1228957-04-7 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
N-t-Butyl-1H-pyrrole-2-carboxamide is used as a chemical reagent and intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties make it a valuable building block for the development of new drugs and agrochemicals.
Used in Medicinal Chemistry:
N-t-Butyl-1H-pyrrole-2-carboxamide is used in medicinal chemistry for the design and synthesis of new compounds with potential therapeutic applications. Its versatile structure allows for the exploration of various chemical modifications to enhance its pharmacological properties.
Used in Organic Synthesis:
N-t-Butyl-1H-pyrrole-2-carboxamide is used as a starting material in organic synthesis for the preparation of a wide range of organic compounds. Its reactivity and functional groups make it suitable for various synthetic transformations and reactions.
Used in Drug Discovery and Development:
N-t-Butyl-1H-pyrrole-2-carboxamide is used as a valuable tool in drug discovery and development. Its potential pharmacological properties and diverse applications make it an attractive candidate for further research and development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1228957-04-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,2,8,9,5 and 7 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1228957-04:
(9*1)+(8*2)+(7*2)+(6*8)+(5*9)+(4*5)+(3*7)+(2*0)+(1*4)=177
177 % 10 = 7
So 1228957-04-7 is a valid CAS Registry Number.

1228957-04-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name N-tert-butyl-1H-pyrrole-2-carboxamide

1.2 Other means of identification

Product number -
Other names N-T-BUTYL PYRROLE-2-CARBOXAMIDE

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:1228957-04-7 SDS

1228957-04-7Downstream Products

1228957-04-7Relevant articles and documents

Exploring the Redox Properties of Bench-Stable Uranyl(VI) Diamido-Dipyrrin Complexes

Carpentier, Ambre,Hield, Emma K.,Love, Jason B.,Maron, Laurent,Sproules, Stephen,Van Rees, Karlotta

, p. 3249 - 3255 (2022/02/23)

The uranyl complexes UO2(OAc)(L) and UO2Cl(L) of the redox-active, acyclic diamido-dipyrrin anion L- are reported and their redox properties explored. Because of the inert nature of the complexes toward hydrolysis and oxidation, synthesis of both the ligands and complexes was conducted under ambient conditions. Voltammetric, electron paramagnetic resonance spectroscopy, and density functional theory studies show that one-electron chemical reduction by the reagent CoCp2 leads to the formation of a dipyrrin radical for both complexes [Cp2Co][UO2(OAc)(L?)] and [Cp2Co][UO2Cl(L?)].

Substrate Controlled Regioselective Bromination of Acylated Pyrroles Using Tetrabutylammonium Tribromide (TBABr3)

Gao, Shuang,Bethel, Travis K.,Kakeshpour, Tayeb,Hubbell, Grace E.,Jackson, James E.,Tepe, Jetze J.

, p. 9250 - 9255 (2018/07/15)

Electrophilic bromination of pyrroles bearing carbonyl substituents at C-2 typically results in a mixture of the 4- and 5-brominated species, generally favoring the 4-position. Herein, we describe a substrate-controlled regioselective bromination in which

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