2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

Base Information

• Chemical Name: 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
• CAS No.: 571159-05-2
• Molecular Formula: C14H13Cl2NO
• Molecular Weight: 282.169
• DSSTox Substance ID: DTXSID10366169
• Wikidata: Q82151285
• Mol file: 571159-05-2.mol

Synonyms:571159-05-2;2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone;2-chloro-1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone;2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone;2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone;2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one;2-chloro-1-(1-(4-chlorophenyl)-2,5-dimethyl-1h-pyrrol-3-yl)-1-ethanone;SCHEMBL13740783;DTXSID10366169;OYEPFHWXRWTABW-UHFFFAOYSA-N;MFCD03986069;STL186151;AKOS000271103;SB63616;FT-0756111;EN300-08106;SR-01000043553;SR-01000043553-1;Z56917411;F9995-0229

Chemical Property of 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

Chemical Property:

• Vapor Pressure: 5.35E-07mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 412 °C at 760 mmHg
• Flash Point: 203 °C
• PSA: 22.00000
• Density: 1.24 g/cm³
• LogP: 4.16900
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 281.0374194
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)CCl
• Use Description: 2-CHLORO-1-[1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-1-ETHANONE is a specific chemical compound with distinct applications in various fields. In the realm of organic synthesis and medicinal chemistry, it serves as a valuable intermediate for creating complex molecules and pharmaceutical compounds, contributing to drug discovery and the development of potential therapeutic agents. In the field of analytical chemistry, this compound may be employed as a reference material or reagent for the detection and quantification of specific functional groups, aiding in precise chemical analysis and identification. Moreover, in the study of chemical reactions and mechanisms, it can serve as a model compound for investigating the behavior of pyrrole derivatives, advancing our understanding of organic chemistry and reaction pathways. Its applications in medicinal chemistry, analytical chemistry, and organic research underscore its significance in driving innovation, scientific exploration, and potential medical breakthroughs within these diverse domains.

Technology Process of 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone

There total 3 articles about 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 39.9%

1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole (5044-23-5) + chloroacetyl chloride (79-04-9) → 2-chloro-1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (571159-05-2)

Guidance literature:

chloroacetyl chloride; With aluminum (III) chloride; In 1,2-dichloro-ethane; at 0 ℃; for 0.5h;

1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole; In 1,2-dichloro-ethane; at 0 - 20 ℃; for 2h;

Reference yield:

2,5-hexanedione (110-13-4) → 2-chloro-1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (571159-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 1 h / 100 °C

2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0.5 h / 0 °C

2.2: 2 h / 0 - 20 °C

With aluminum (III) chloride; acetic acid; In 1,2-dichloro-ethane;

Reference yield:

4-chloro-aniline (106-47-8) → 2-chloro-1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (571159-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid / 1 h / 100 °C

2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 0.5 h / 0 °C

2.2: 2 h / 0 - 20 °C

With aluminum (III) chloride; acetic acid; In 1,2-dichloro-ethane;

upstream raw materials:

2,5-hexanedione

4-chloro-aniline

1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole

chloroacetyl chloride

Downstream raw materials:

1-(1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(piperidin-1-yl)ethanone

3-chloro-2-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-4-phenylquinoline

Refernces

• 1、 -. "PROTEOSTASIS REGULATORS". . . Retrieved 2013/02/27.