2-Bromo-N-(P-toluenesulfonyl)pyrrole

Base Information

• Chemical Name: 2-Bromo-N-(P-toluenesulfonyl)pyrrole
• CAS No.: 290306-56-8
• Molecular Formula: C11H10BrNO2S
• Molecular Weight: 300.176
• Hs Code.: 2933998090
• European Community (EC) Number: 640-880-9
• DSSTox Substance ID: DTXSID20397287
• Nikkaji Number: J1.306.490C
• Wikidata: Q82198506
• Mol file: 290306-56-8.mol

Synonyms:290306-56-8;2-BROMO-N-(P-TOLUENESULFONYL)PYRROLE;2-Bromo-1-(p-toluenesulfonyl)pyrrole;2-BROMO-1-TOSYL-1H-PYRROLE;2-bromo-1-(4-methylphenyl)sulfonylpyrrole;MFCD07364061;2-Bromo-1-(4-methylbenzenesulfonyl)-1H-pyrrole;1-Tosyl-2-bromo-1H-pyrrole;SCHEMBL1365792;DTXSID20397287;AKOS025146549;AB30905;BS-22196;SY019328;2-Bromo-1-(p-toluenesulfonyl)pyrrole 9&;CS-0204341;FT-0739938;2-BROMO-N-(4-TOLUENESULPHONYL)PYRROLE;S12196;J-017362

Chemical Property of 2-Bromo-N-(P-toluenesulfonyl)pyrrole

Chemical Property:

• Vapor Pressure: 1.7E-07mmHg at 25°C
• Melting Point: 102-105oC(lit.)
• Boiling Point: 426.9oC at 760 mmHg
• PKA: -11.62±0.70(Predicted)
• Flash Point: 212oC
• PSA: 47.45000
• Density: 1.53g/cm3
• LogP: 3.87680
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 298.96156
• Heavy Atom Count: 16
• Complexity: 330

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-N-(p-toluenesulfonyl)pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2Br

Technology Process of 2-Bromo-N-(P-toluenesulfonyl)pyrrole

There total 1 articles about 2-Bromo-N-(P-toluenesulfonyl)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:

2-bromo-1H-pyrrole (38480-28-3) + p-toluenesulfonyl chloride (98-59-9) → 2-bromo-1-(p-toluenesulfonyl)pyrrole (290306-56-8)

Guidance literature:

2-bromo-1H-pyrrole; With sodium hydride; In N,N-dimethyl-formamide; at -20 ℃; for 3h;

p-toluenesulfonyl chloride; In tetrahydrofuran; at -20 ℃; for 1h;

DOI:10.3987/COM-00-8859

Reference yield: 80.0%

4-methoxyphenylboronic acid (5720-07-0) + 2-bromo-1-(p-toluenesulfonyl)pyrrole (290306-56-8) → 2-(4-methoxyphenyl)-1-tosyl-1H-pyrrole (637354-46-2)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; for 6h; Heating;

DOI:10.1055/s-2003-42036

Reference yield: 74.0%

oxazol (288-42-6) + 2-bromo-1-(p-toluenesulfonyl)pyrrole (290306-56-8) → C14H12N2O3S (1239714-95-4)

Guidance literature:

With palladium diacetate; caesium carbonate; Trimethylacetic acid; ruphos; In toluene; at 110 ℃; for 16h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol1011778

upstream raw materials:

2-bromo-1H-pyrrole

p-toluenesulfonyl chloride

Downstream raw materials:

N-p-toluenesulfonylpyrrole

2-(4-methoxyphenyl)-1-tosyl-1H-pyrrole

2-(3-nitro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole

2-phenyl-1-(p-toluenesulfonyl)pyrrole