1-(4-Chlorophenyl)-2,5-dihydropyrrole

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2,5-dihydropyrrole
• CAS No.: 28192-10-1
• Molecular Formula: C10H10 Cl N
• Molecular Weight: 179.649
• NSC Number: 168856
• DSSTox Substance ID: DTXSID50305032
• Nikkaji Number: J1.164.807J
• Wikidata: Q82051453
• Mol file: 28192-10-1.mol

Synonyms:28192-10-1;1-(4-chlorophenyl)-2,5-dihydropyrrole;NSC168856;DTXSID50305032;NSC-168856

Chemical Property of 1-(4-Chlorophenyl)-2,5-dihydropyrrole

Chemical Property:

• Vapor Pressure: 0.0022mmHg at 25°C
• Boiling Point: 289.4°Cat760mmHg
• Flash Point: 128.8°C
• Density: 1.204g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.0501770
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCN1C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-2,5-dihydropyrrole

There total 3 articles about 1-(4-Chlorophenyl)-2,5-dihydropyrrole 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: 99.0%

N,N-diallyl-4-chlorobenzenamine (30438-94-9) → 1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole (28192-10-1)

Guidance literature:

With Grubbs catalyst first generation; In benzene; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c2ob25543j

Reference yield: 65.0%

N,N-diallyl-4-chlorobenzenamine (30438-94-9) → 1-(4-chlorophenyl)-1H-pyrrole (5044-38-2) + 1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole (28192-10-1)

Guidance literature:

With Grubbs catalyst first generation; iron(III) chloride hexahydrate; oxygen; In dichloromethane; at 40 ℃; for 24h;

DOI:10.1021/om400046r

Reference yield:

→ 1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole (28192-10-1)

Guidance literature:

p-Chloroanilin, cis-1,4-Dichloro-2-buten;

DOI:10.1016/S0040-4020(01)92904-7

upstream raw materials:

N,N-diallyl-4-chlorobenzenamine

Downstream raw materials:

1-(4-chlorophenyl)-1H-pyrrole

Refernces

• 1、 Chen, Weiqiang,Wang, Jianhui. "Synthesis of pyrrole derivatives from diallylamines by one-pot tandem ring-closing metathesis and metal-catalyzed oxidative dehydrogenation". supporting information. p. 1958 - 1963. Retrieved 2013/05/08.