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1H-Pyrrole, 1-(4-methylphenyl)-2,5-diphenyl- is a complex organic compound belonging to the pyrrole family, characterized by a five-membered aromatic ring containing one nitrogen atom. This specific compound features a 4-methylphenyl group attached to the nitrogen atom, and two phenyl groups at the 2nd and 5th positions of the pyrrole ring. The molecular formula for 1H-Pyrrole, 1-(4-methylphenyl)-2,5-diphenyl- is C20H17N, and it has a molecular weight of 269.35 g/mol. It is an important intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structure and reactivity. The compound is typically synthesized through various chemical reactions, such as condensation or cyclization, and can be further functionalized to create a wide range of derivatives with diverse applications in the chemical industry.

853-36-1

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853-36-1 Usage

Explanation

This is the full name of the chemical compound, indicating its structure and components.

Explanation

The molecular formula represents the number of carbon (C), hydrogen (H), and nitrogen (N) atoms in the compound, which is C23H18N in this case.
3. Pyrrole Family

Explanation

The compound belongs to the pyrrole family, which is a class of aromatic heterocyclic organic compounds containing a five-membered ring with one nitrogen atom.
4. Aromatic Heterocyclic Compound

Explanation

The compound is an aromatic heterocyclic compound, meaning it has a ring structure with alternating single and double bonds, and at least one atom in the ring is not carbon (in this case, nitrogen).
5. Pyrrole Ring

Explanation

The core structure of the compound is a pyrrole ring, which is a five-membered ring with one nitrogen atom and four carbon atoms.
6. 4-Methylphenyl Group at 1-Position

Explanation

A 4-methylphenyl group (a phenyl ring with a methyl group attached at the 4-position) is attached to the 1-position of the pyrrole ring, which is one of the carbon atoms in the ring.
7. Phenyl Groups at 2and 5-Positions

Explanation

Two phenyl groups (a six-membered ring with six carbon atoms) are attached to the 2and 5-positions of the pyrrole ring, which are the other carbon atoms in the ring.
8. Yellow Crystalline Solid

Explanation

The compound appears as a yellow crystalline solid, indicating its physical form and color.
9. Organic Synthesis and Chemical Research
10. Potential Applications

Explanation

1H-Pyrrole, 1-(4-methylphenyl)-2,5-diphenylhas potential applications in the development of pharmaceuticals, agrochemicals, and other industrial products.
11. Unique Structure and Aromatic Properties

Explanation

The compound's unique structure and aromatic properties make it a valuable building block for the preparation of more complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 853-36-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,5 and 3 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 853-36:
(5*8)+(4*5)+(3*3)+(2*3)+(1*6)=81
81 % 10 = 1
So 853-36-1 is a valid CAS Registry Number.

853-36-1Relevant academic research and scientific papers

Synthesis of polysubstituted pyrroles via Pd-catalyzed oxidative alkene C-H bond arylation and amination

Zheng, Jia,Huang, Liangbin,Huang, Chuyu,Wu, Wanqing,Jiang, Huanfeng

, p. 1235 - 1242 (2015/01/30)

A novel Pd(II)-catalyzed oxidative approach to construct polysubstituted pyrroles from N-homoallylicamines and arylboronic acids was developed. This transformation is supposed to proceed through cascade formation of C-C and C-N bonds via oxidative arylation of unactive alkenes, followed by intramolecular aza-Wacker cyclization.

One-pot synthesis of quinoline derivatives directly from terminal alkynes via sequential ruthenium(II) and acid catalysis

Zhang, Min,Roisnel, Thierry,Dixneufc, Pierre H.

body text, p. 1896 - 1903 (2010/11/05)

A convenient one-pot synthesis of 2,3-di- substituted, 2,3,6- trisubstituted, and 2,3,6,7-tetrasubstituted quinoline analogues from terminal alkynes via sequential ruthenium(II) and para-toluenesulfonic acid (p-TSA) co-catalyzed reactions is described. The catalytic process is shown to take place first via intermediate formation of an allyl ketone and then addition of an aniline derivative to the allyl ketone. The p-TSA is a catalyst for both allyl ketone and quinoline synthetic steps. The method allowed us to synthesize a wide range of quinoline derivatives and introduce different substituents by employing various simple starting materials. The reaction allows the synthesis of halogen-containing products.

Gold(I) catalyzes the intermolecular hydroamination of alkynes with imines and produces α,α′, N-triarylbisenamines: Studies on their use as intermediates in synthesis

Leyva-Perez, Antonio,Cabrero-Antonino, Jose R.,Cantin, Angel,Corma, Avelino

supporting information; experimental part, p. 7769 - 7780 (2011/02/16)

α,α′,N-Triarylbisenamines have been efficiently formed and isolated for the first time. The synthesis is based on an unprecedented gold(I)-catalyzed double intermolecular hydroamination between N-arylamines and aryl alkynes. This reaction constitutes a ne

CuCl-catalyzed cycloaddition of 1,3-butadiynes with primary amines: An atom-economic process for synthesis of 1,2,5-trisubsituted pyrroles

Zheng, Qingwei,Hua, Ruimao

supporting information; experimental part, p. 4512 - 4514 (2010/10/02)

1,3-Butadiynes underwent inter- and intramolecular double hydroamination with primary amines in the presence of CuCl at 100°C to afford 1,2,5-trisubsituted pyrroles in good to high yields.

Photochemistry of N-heterocycles. 7: Light induced reductive ring contractions of sixmembered cyclic iminium ions

Nagy, Jozsef,Madarasz, Zoltan,Rapp, Rudolf,Szoelloesy, Aron,Nyitrai, Jozsef,Doepp, Dietrich

, p. 281 - 290 (2007/10/03)

Photochemically induced reductive ring contractions, previously observed for 2,5-dihydro-1,2,4-triazines, have also been verified for 1,4-dihydropyrimidines 2a,b, the dihydro-1,2,4,5-tetrazine 9, and dihydro-1,3,5-triazines 11a,b giving rise to fivemembered fully unsaturated heterocycles (pyrroles 4a,b, imidazoles 13a,b, and triazole 10, respectively). The 1,4-dihydropyrazines 15a-j tend to decompose in acidified 2-propanol in the dark, but on irradiation they also undergo reductive ring contraction furnishing solely the 1,2,5-triarylpyrroles 16a-d rather than the (a priori also possible) isomeric 1,3,4-triarylpyrroles 17a-d. In contrast, the 3,6-diphenylpyrid-azine 18 gives the 4-isopropyl-analogue 19 in low yield upon irradiation in hydrogen chloride saturated 2-propanol. Wiley-VCH Verlag GmbH, 2000.

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