1-(2-bromophenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(2-bromophenyl)-1H-pyrrole
• CAS No.: 69907-27-3
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50383774
• Nikkaji Number: J1.128.157E
• Wikidata: Q82175568
• Mol file: 69907-27-3.mol

Synonyms:1-(2-bromophenyl)-1H-pyrrole;69907-27-3;1-(2-bromophenyl)pyrrole;SCHEMBL407577;DTXSID50383774;1H-Pyrrole,1-(2-bromophenyl)-;BBL022305;MFCD02665226;STK895532;ZB1728;AKOS000126852;SB62960;1-(2-Bromophenyl)-1H-pyrrole, AldrichCPR;CS-0192280;FT-0680252;E85566;2Y-0825;A866717;J-502956

Chemical Property of 1-(2-bromophenyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.00295mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 293.9 °C at 760 mmHg
• PKA: -5.91±0.70(Predicted)
• Flash Point: 131.5 °C
• PSA: 4.93000
• Density: 1.38 g/cm³
• LogP: 3.23980
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 220.98401
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Bromophenyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N2C=CC=C2)Br

Technology Process of 1-(2-bromophenyl)-1H-pyrrole

There total 5 articles about 1-(2-bromophenyl)-1H-pyrrole 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: 95.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-bromoaniline (615-36-1) → 1-(2-bromophenyl)-1H-pyrrole (69907-27-3)

Guidance literature:

With copper dichloride; In water; Reflux;

DOI:10.1021/acs.orglett.8b01663

Reference yield: 85.0%

pyrrole (109-97-7,30604-81-0) + 1-Bromo-2-iodobenzene (583-55-1) → 1-(2-bromophenyl)-1H-pyrrole (69907-27-3)

Guidance literature:

With copper; caesium carbonate; In acetonitrile; for 12h; chemoselective reaction; Reflux; Inert atmosphere;

DOI:10.1002/adsc.200700535

Reference yield: 83.3%

→ pyrrole (109-97-7,30604-81-0) + 1-(2-bromophenyl)-1H-pyrrole (69907-27-3)

Guidance literature:

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

2-bromoaniline

pyrrole

1-Bromo-2-iodobenzene

Downstream raw materials:

4,4,6,6-tetraphenyl-4H,6H-benzo[e]pyrrolo[2,1-c][1,4]oxazepine

9-phenyl-9H-benzo[d]pyrrolo[1,2-a][1,3]azarsole

4,4,6,6-tetraphenyl-4H,6H-benzo[c]pyrrolo[1,2-e][1,5,2]oxazasilepine

9,9-diphenyl-9H-benzo[d]pyrrolo[1,2-a][1,3]azasilole

Refernces

• 1、 Wu, Di,Chen, Lingfeng,Ma, Shuangliang,Luo, Huiying,Cao, Jing,Chen, Runfeng,Duan, Zheng,Mathey, Francois. "Synthesis of 1,3-Azaphospholes with Pyrrolo[1,2- a]quinoline Skeleton and Their Optical Applications". . p. 4103 - 4106. Retrieved 2018/07/15.
• 2、 Faigl, Ferenc,Deák, Szilvia,Mucsi, Zoltán,Hergert, Tamás,Balázs, László,Sándor, Boros,Balázs, Barbara,Holczbauer, Tamás,Nyerges, Miklós,Mátrav?lgyi, Béla. "A novel and convenient method for the preparation of 5-(diphenylmethylene)-1H-pyrrol-2(5H)-ones; synthesis and mechanistic study". . p. 5444 - 5455. Retrieved 2016/08/04.