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2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE is a complex organic compound characterized by its unique molecular structure, which features a phenyl group attached to a pyrrole ring through a methylene bridge. 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE is of interest in various scientific and industrial applications due to its distinct chemical properties and potential reactivity.

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  • 107798-98-1 Structure
  • Basic information

    1. Product Name: 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE
    2. Synonyms: 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE;5-PHENYLDIPYRROMETHANE
    3. CAS NO:107798-98-1
    4. Molecular Formula: C15H14N2
    5. Molecular Weight: 222.29
    6. EINECS: N/A
    7. Product Categories: Porphyrins
    8. Mol File: 107798-98-1.mol
  • Chemical Properties

    1. Melting Point: 100-101 °C
    2. Boiling Point: 414.9±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.174±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 16.93±0.50(Predicted)
    10. CAS DataBase Reference: 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE(107798-98-1)
    12. EPA Substance Registry System: 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE(107798-98-1)
  • 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: 107798-98-1(Hazardous Substances Data)

107798-98-1 Usage

Uses

Used in Electrochemical CO2 Reduction Research:
2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE is used as a chemical intermediate in the study of electrochemical CO2 reduction with iron tetraphenylporphyrin. Its role in this application is to facilitate the reduction process, potentially leading to more efficient and environmentally friendly methods for converting CO2 into useful products.
While the provided materials do not specify other industries or applications, it is worth noting that compounds with similar structures are often used in various fields, such as pharmaceuticals, materials science, and chemical synthesis. Further research and development could potentially reveal additional uses for 2-[PHENYL(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE in these and other industries.

Synthesis Reference(s)

Tetrahedron Letters, 35, p. 2455, 1994 DOI: 10.1016/S0040-4039(00)77142-5

Check Digit Verification of cas no

The CAS Registry Mumber 107798-98-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,7,7,9 and 8 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 107798-98:
(8*1)+(7*0)+(6*7)+(5*7)+(4*9)+(3*8)+(2*9)+(1*8)=171
171 % 10 = 1
So 107798-98-1 is a valid CAS Registry Number.

107798-98-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

1.2 Other means of identification

Product number -
Other names 5-PHENYLDIPYRROMETHANE

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:107798-98-1 SDS

107798-98-1Relevant articles and documents

New copper complex derivatives including bis-dipyrrinato ligand for color filter pigments

Park, Jongwook,Park, Junghyo,Shin, Hawnkyu,Park, Youngil,Shin, Yunseop,Kim, Seungho

, p. 43 - 49 (2012)

Four red compounds for color filter (CF) pigments in which phenyl, 4-chloro-phenyl, 4-fluoro-phenyl and pentafluorophenyl groups are substituted to 5-position of dipyrrinato group based on bis-dipyrrinato ligand were synthesized, and physical properties f

Synthesis of porphyrins bearing trans-thiols

Jagessar, Raymond C.,Tour, James M.

, p. 111 - 113 (2000)

(matrix presented) A route to porphyrins bearing frans-thiols is described using a thioacetyl-containing aldehyde or a thioacetyl-containing dipyrromethane in the presence of catalytic BF3·OEt2 followed by oxidation. Metal complexation and ammonium hydroxide induced acetyl removal provides a route to these important molecular systems for future electronics experiments in which the thiols would serve as the adhesion points to gold probes.

Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs

Prasannan, Dijo,Raghav, Darpan,Sujatha, Subramaniam,Hareendrakrishna Kumar, Haritha,Rathinasamy, Krishnan,Arunkumar, Chellaiah

, p. 80808 - 80824 (2016)

A series of mono- and di-brominated BODIPYs (1-5) was synthesized and characterized with a view to study the performance of dyes towards antibacterial activity. Regioselective bromination at the 2- and 2,6-positions of the BODIPY core was achieved with quantitative yield. The bromination of meso-(4-hydroxyphenyl) BODIPY (5) yielded an unexpected dibromo derivative, where the bromine groups were installed at the 3,5-positions of the phenyl ring rather than the 2,6-positions of the BODIPY core, which is confirmed and supported by UV-visible, fluorescence, and 1H NMR spectroscopic analyses, electrochemical studies, and also by single crystal X-ray crystallography. We observed a red shift of ~16 nm in the absorption and 20-29 nm in the emission spectra in CH2Cl2 for the installation of each bromine group at the BODIPY core. The small difference between the first reduction potentials of the parent and dibromo derivative (5 and 5b) reveal that dibromination does not occur on the pyrrolic moiety. The intermolecular interactions involving C?H, F?H, H?H, and Br?H are the key factors in stabilizing the molecular crystal packing. The antibacterial properties of these dyes were investigated and the brominated derivatives showed better antibacterial effects than their corresponding parent BODIPYs, particularly the unusual dibromo derivative, 5b.

Green Chemistry for Preparation of Oligopyrrole Macrocycles Precursors: Novel Methodology for Dipyrromethanes and Tripyrromethanes Synthesis in Water

Karl, Vladimir,Vasek, Petr,Dolensky, Bohumil

, p. 1126 - 1136 (2004)

A novel methodology for preparation of linear oligopyrroles is presented. Synthetic protocol uses water as a solvent for acid catalysed condensation of an aldehyde or ketone with unsubstituted pyrrole. While the most procedures for the above-mentioned com

Meso- and axially-modified IrIIItriarylcorroles with tunable electrocatalytic properties

Zhang, Xifeng,Wang, Yu,Zhu, Weihua,Mack, John,Soy, Rodah C.,Nyokong, Tebello,Liang, Xu

, (2020)

The synthesis of three A2B type Ir(III)triarylcorroles with meso-aryl substituents that provide electron donating (push) and withdrawing (pull) properties and three A3 type IrIIItriphenylcorroles with differing pyridine axial ligands is reported, along with their structural characterization. An analysis of the structure-property relationships in the optical and redox properties has been carried out by comparing their optical spectroscopy and electrochemistry to trends predicted in DFT and TD-DFT calculations. The results demonstrate that A2B type IrIIItriarylcorroles are highly efficient electrocatalyzed oxygen reduction reactions (ORRs) and that their reactivity can be modulated by modulating the electronic structure by changing the nature of the meso-substituent at the B-positions, and even axial pyridine ligands.

Single azopyridine-substituted porphyrin molecules for configurational and electronic switching

Matino, Francesca,Schull, Guillaume,Jana, Umasish,Koehler, Felix,Berndt, Richard,Herges, Rainer

, p. 6780 - 6782 (2010)

A new azopyridine functionalized Ni-porphyrin was synthesized as a model compound for deposition and switch on surfaces. Two geometrically and electronically different states of single molecules on Au(111) were found by scanning tunneling microscopy/spectroscopy and analyzed with density functional calculations.

Poly (ethylene oxide) tethered trans-porphyrin: Synthesis, self-assembly with fullerene (C60) and DNA binding studies

Akhtar, Muhammad Asim,Riaz, Sara,Hayat, Akhtar,Nasir, Muhammad,Muhammad, Nawshad,Rahim, Abdur,Nawaz, Mian Hasnain

, p. 235 - 239 (2017)

trans-Porphyrin containing phenyl group at both ends was synthesized via corresponding dipyrromethanes (DPM) in the presence of TFA and DDQ. The polyethyleneglycole (PEG) chains were attached at the trans positions of ABA type porphyrinic moiety. The prep

Synthesis of dipyrromethanes in aqueous media using boric acid

Singhal, Anchal,Singh, Snigdha,Chauhan, Shive M. S.

, p. 144 - 151 (2016)

Boric acid acts as an efficient and green catalyst for the condensation reaction of pyrrole and aldehydes in aqueous medium to produce parallel library of dipyrromethanes including new compound analogue, meso-acetyldipyrromethane in moderate to good yield. The use of boric acid as catalyst and selective reactivity of aldehydes over ketones in its presence, and water as reaction medium are important attributes in the present protocol.

Expanded dipyrrins with electron-withdrawing substituents: Broad range of absorption in the visible region

Liang, Xu,Shimizu, Soji,Kobayashi, Nagao

, p. 256 - 258 (2014)

Reaction of meso-aryl-substituted dipyrromethanes with tetracyanoethylene led to generation of a mono-tricyanovinyl-substituted species as well as an expanded dipyrrin analogue bearing both a dicyanomethylene and a tricyanovinyl substituent at the α-posit

Enforced effects of side group substitution position on luminescence properties; Synthesis of bis(dipyrrinato)zinc complex derivatives

Lee, Sola,Seok, Chang-Hun,Park, Youngil,Lee, Areum,Jung, Dong Hyun,Choi, Seung-Hoon,Park, Jongwook

, p. 65 - 72 (2010)

New yellow-green emitting materials using bis(dipyrrinato)zinc complex moiety were synthesized by substituting phenyl group and 1- or 2-positioned naphthalene group. Bis[5-(1-naphthalenyl)-dipyrrinato]zinc complex (Zn(1-NaPN)2) substituted at p

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