3-Benzoyl-1-tosylpyrrole

Base Information

• Chemical Name: 3-Benzoyl-1-tosylpyrrole
• CAS No.: 139261-90-8
• Molecular Formula: C18H15NO3S
• Molecular Weight: 325.38
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40378295
• Nikkaji Number: J1.751.192K
• Wikidata: Q82167847
• Mol file: 139261-90-8.mol

Synonyms:3-Benzoyl-1-tosylpyrrole;139261-90-8;Phenyl(1-tosyl-1H-pyrrol-3-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethanone;3-benzoyl-1-(4-methylbenzenesulfonyl)-1H-pyrrole;MFCD03411960;PHENYL-[1-(TOLUENE-4-SULFONYL)-1H-PYRROL-3-YL]-METHANONE;3-BENZOYL-1-[(4-METHYLPHENYL)SULFONYL]PYRROLE;Methanone,[1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]phenyl-;1-Tosyl-3-benzoyl-1H-pyrrole;DTXSID40378295;AKOS005257096;AB14337;PS-7031;FT-0643304;3-(2-Oxo-2-piperidin-1-yl-ethoxy)-benzoicacid;3-Benzoyl-1-[(4-methylphenyl)sulphonyl]pyrrole;A807511;phenyl-[1-(p-tolylsulfonyl)pyrrol-3-yl]methanone;3-BENZOYL-1-[(4-METHYLBENZENE)SULFONYL]-1H-PYRROLE

Chemical Property of 3-Benzoyl-1-tosylpyrrole

Chemical Property:

• Vapor Pressure: 7.88E-11mmHg at 25°C
• Melting Point: 94-96 °C
• Refractive Index: 1.614
• Boiling Point: 517.9 °C at 760 mmHg
• Flash Point: 267 °C
• PSA: 64.52000
• Density: 1.23 g/cm³
• LogP: 4.34530
• Storage Temp.: Keep Cold
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 325.07726451
• Heavy Atom Count: 23
• Complexity: 511

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzoyl-1-tosylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=CC=CC=C3
• Uses: 3-Benzoyl-1-tosylpyrrole is an intermediate in the synthesis of rac Ketorolac 6-Benzoyl Isomer (K235620). rac Ketorolac 6-Benzoyl Isomer (Ketorolac EP Impurity C) is an isomeric impurity of Ketorolac (K235620).

Technology Process of 3-Benzoyl-1-tosylpyrrole

There total 1 articles about 3-Benzoyl-1-tosylpyrrole 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: 89.0%

N-p-toluenesulfonylpyrrole (17639-64-4) + benzoyl chloride (98-88-4) → 3-benzoyl-N-p-toluenesulfonylpyrrole (139261-90-8)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 0.166667h;

DOI:10.1081/SCC-120003152

Reference yield: 95.0%

methanol (67-56-1) + 3-benzoyl-N-p-toluenesulfonylpyrrole (139261-90-8) → (1-methyl-1H-pyrrol-3-yl)(phenyl)methanone (62128-30-7)

Guidance literature:

With potassium hydroxide; In water; for 10h; Heating;

DOI:10.1081/SCC-120003152

Reference yield: 94.0%

3-benzoyl-N-p-toluenesulfonylpyrrole (139261-90-8) → 3-benzoylpyrrole (7126-41-2)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; for 12h; Heating;

DOI:10.1081/SCC-120003152

upstream raw materials:

N-p-toluenesulfonylpyrrole

benzoyl chloride

Downstream raw materials:

3-(1-phenylethenyl)-1-tosylpyrrole

(1-methyl-1H-pyrrol-3-yl)(phenyl)methanone

3-benzoylpyrrole

Refernces

• 1、 Chen, Qingqi,Wang, Tianyu,Zhang, Yi,Wang, Qiuan,Ma, Jinshi. "A facile, highly efficient synthesis of fully N-confused calix[5]pyrrole". . p. 1041 - 1049. Retrieved 2007/10/03.