Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)-


Chemical Name: Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)-
CAS Number: 932-62-7
Product Number: AG003ISZ(AGN-PC-0JSAZ2)
Synonyms:
MDL No:
Molecular Formula: C7H9NO
Molecular Weight: 123.1525

Identification/Properties


Properties
BP:
148-150 °C15 mm Hg(lit.)
Storage:
2-8℃;
Refractive Index:
n20/D 1.538(lit.)
Computed Properties
Molecular Weight:
123.155g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
123.068g/mol
Monoisotopic Mass:
123.068g/mol
Topological Polar Surface Area:
22A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
122
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(1-Methyl-1H-pyrrol-3-yl)ethanone, also known as $name$, serves as a versatile intermediate in chemical synthesis due to its unique structure and reactivity. This compound is commonly utilized in the pharmaceutical industry as a key building block for the synthesis of various biologically active molecules. Its ability to undergo diverse chemical transformations makes it a valuable tool for organic chemists looking to access complex molecular structures efficiently. In addition, $name$ can participate in a range of reactions, including cross-coupling, functional group interconversion, and cyclization reactions, offering researchers numerous possibilities for creating new compounds. Its strategic placement of the pyrrole moiety within the molecule enhances its potential for forming important molecular scaffolds found in pharmaceuticals and agrochemicals.