5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Base Information

Chemical Name:5-bromo-2-(1H-pyrrol-1-yl)benzoic acid
CAS No.:133662-27-8
Molecular Formula:C₁₁H₈BrNO₂
Molecular Weight:266.094
Hs Code.:
European Community (EC) Number:840-819-8

Synonyms:5-bromo-2-(1H-pyrrol-1-yl)benzoic acid;133662-27-8;5-bromo-2-pyrrol-1-ylbenzoic acid;MFCD11557118;AKOS005622632;5-bromo-2-(1H-pyrrol-1-yl)benzoicacid;NS-04191;EN300-186631;G20143;Z927502614

Suppliers and Price of 5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:264.97384
Heavy Atom Count:15
Complexity:241

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN(C=C1)C2=C(C=C(C=C2)Br)C(=O)O

Technology Process of 5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

There total 3 articles about 5-bromo-2-(1H-pyrrol-1-yl)benzoic acid 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: 68.0%

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 5794-88-7
5-Bromo-2-aminobenzoic acid

: 133662-27-8
5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: With 4-chlorpyridine hydrochloride; In 1,4-dioxane; for 2h; Heating;

Reference yield: 17.0%

: 5044-39-3
1-(4-bromophenyl)-1H-pyrrole

: 124-38-9,18923-20-1
carbon dioxide

: 133662-27-8
5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: 1-(4-bromophenyl)-1H-pyrrole; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; potassium tert-butylate; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -75 ℃; for 1h;

carbon dioxide; In tetrahydrofuran; diethyl ether; at 20 ℃; Further stages.;
DOI:10.1039/b100008j

Reference yield:

: 106-40-1
4-bromo-aniline

: 133662-27-8
5-bromo-2-(1H-pyrrol-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: 81 percent / acetic acid

2.1: lithium 2,2,6,6-tetramethylpiperidine; t-BuOK; N,N,N',N'',N''-pentamethyldiethylenetriamine / tetrahydrofuran / 1 h / -75 °C

2.2: 17 percent / tetrahydrofuran; diethyl ether / 20 °C

With N,N,N',N'',N'''-pentamethyldiethylenetriamine; potassium tert-butylate; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; acetic acid;
DOI:10.1039/b100008j