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3-Phenyl-1-(pyrrol-1-yl)propan-1-one, commonly referred to as P3P, is a ketone compound characterized by its molecular formula C13H13NO. It features a phenyl group and a pyrrol-1-yl group attached to a propanone backbone, which contributes to its unique chemical properties. P3P is recognized for its role as a precursor in the synthesis of pharmaceuticals and research chemicals, and it also serves as a reagent in organic chemistry. Despite its mild stimulant effects and potential therapeutic applications in neurodegenerative diseases, P3P is not approved for human consumption or medical use and requires careful handling due to its potential health and safety risks.

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  • 112448-69-8 Structure
  • Basic information

    1. Product Name: 3-Phenyl-1-(pyrrol-1-yl)propan-1-one
    2. Synonyms: 3-Phenyl-1-(pyrrol-1-yl)propan-1-one;1-(1-Oxo-3-phenylpropyl)-1H-pyrrole
    3. CAS NO:112448-69-8
    4. Molecular Formula: C13H13NO
    5. Molecular Weight: 199.24842
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112448-69-8.mol
  • Chemical Properties

    1. Melting Point: 46-48℃
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-Phenyl-1-(pyrrol-1-yl)propan-1-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-Phenyl-1-(pyrrol-1-yl)propan-1-one(112448-69-8)
    11. EPA Substance Registry System: 3-Phenyl-1-(pyrrol-1-yl)propan-1-one(112448-69-8)
  • 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: 112448-69-8(Hazardous Substances Data)

112448-69-8 Usage

Uses

Used in Pharmaceutical Synthesis:
3-Phenyl-1-(pyrrol-1-yl)propan-1-one is used as a precursor in the pharmaceutical industry for the synthesis of various drugs and research chemicals. Its unique structure allows for the creation of a wide range of compounds with diverse therapeutic properties.
Used in Organic Chemistry:
In the field of organic chemistry, 3-Phenyl-1-(pyrrol-1-yl)propan-1-one is utilized as a reagent in various chemical reactions. Its versatility in forming different chemical bonds and its compatibility with a range of reaction conditions make it a valuable component in the synthesis of complex organic molecules.
Used in Neurodegenerative Disease Research:
3-Phenyl-1-(pyrrol-1-yl)propan-1-one is used as a research compound in the study of neurodegenerative diseases. Its potential therapeutic applications are being explored, although further research is needed to fully understand its effects and safety profile.
Used in Stimulant Formulations:
Safety Precautions:
Given the potential health and safety hazards of 3-Phenyl-1-(pyrrol-1-yl)propan-1-one, it is crucial to handle this compound with caution. Proper safety measures, including the use of personal protective equipment and adherence to laboratory safety protocols, should be strictly followed to minimize risks.

Check Digit Verification of cas no

The CAS Registry Mumber 112448-69-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,4,4 and 8 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 112448-69:
(8*1)+(7*1)+(6*2)+(5*4)+(4*4)+(3*8)+(2*6)+(1*9)=108
108 % 10 = 8
So 112448-69-8 is a valid CAS Registry Number.

112448-69-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Phenyl-1-(pyrrol-1-yl)propan-1-one

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:112448-69-8 SDS

112448-69-8Relevant articles and documents

Structural elucidation and synthesis of new components isolated frompipersarmentosum(piperaceae)

Likhitwitayawuid, Kittisak,Ruangrungsi, Nijsiri,Lange, Gordon L.,Decicco, Carl P.

, p. 3689 - 3694 (1987)

Six components were Isolated from the fruit ofPipersarmentosum. Two of the components are the ubiquitous β-sitosterol and the known unsaturated amide, pellitorine, 3. The other four components, which are new natural products, consist of the aromatic alken

Samarium-mediated intramolecular cross-couplings of an α,β-unsaturated N-acylpyrrole

Law, Katherine R.,McErlean, Christopher S.P.

supporting information, p. 3113 - 3116 (2016/07/06)

The first example of an α,β-unsaturated N-acylpyrrole undergoing a SmI2-mediated cyclization is reported. In contrast to other unsaturated units, the intermediate samarium enolate readily engages in aldol-type reactions, necessitating careful control of the reaction conditions.

Remarkably stable tetrahedral intermediates: Carbinols from nucleophilic additions to N-acylpyrroles

Evans, David A.,Borg, George,Scheidt, Karl A.

, p. 3188 - 3191 (2007/10/03)

Sufficiently stable intermediates formed in the reaction of N-acylpyrroles (1) with hydride and Grignard reagents can undergo further synthetic transformations and chromatographic purification to enable the generation of pyrrolecarbinols 2 in 76-95% yields [Eq. (1)].

Catalytic enantioselective amination of enolsilanes using C2-symmetric copper(II) complexes as chiral lewis acids

Evans, David A.,Johnson, Douglas S.

, p. 595 - 598 (2008/02/11)

(Matrix presented) [Cu(S,S)-t-Bu-box](OTf)2 (1) catalyzes the enantioselective amination of enolsilanes with azodicarboxylate derivatives. Isomerically pure enolsilanes of aryl ketones, acylpyrroles, and thioesters added to the azo-imide in gre

On the Preparation of N-Acylpyrroles and their Use in the Synthesis of Ketones

Brandaenge, Svante,Holmgren, Erik,Leijonmarck, Hans,Rodriguez, Benito

, p. 922 - 928 (2007/10/03)

Two methods for the preparation of N-acylpyrroles have been studied: (a) the reaction between pyrrole and N-acylimidazoles and (b) the oxidation of amides of 3-pyrroline.The reactions between N-acylpyrroles and organolithium compounds can be directed to give ketones in good yields.The initially formed tetrahedral intermediates in these reactions are relatively stable and pyrrolylcarbinols are isolable intermediates.A Reformatsky-Claisen type ring-closure gave a more than doubled yield when an N-acylpyrrole group was used as an electrophile instead of an ester group; the increased stability of the initially formed tetrahedral intermediate presumably accounts for the observed results.

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