2-Benzoylpyrrole

Base Information

• Chemical Name: 2-Benzoylpyrrole
• CAS No.: 7697-46-3
• Molecular Formula: C11H9NO
• Molecular Weight: 171.199
• European Community (EC) Number: 664-147-8
• NSC Number: 75585
• DSSTox Substance ID: DTXSID80227753
• Nikkaji Number: J62.537J
• Wikidata: Q72440491
• ChEMBL ID: CHEMBL2136039
• Mol file: 7697-46-3.mol

Synonyms:2-Benzoylpyrrole;7697-46-3;phenyl(1H-pyrrol-2-yl)methanone;2-Benzoyl-1H-pyrrole;Methanone, phenyl-1H-pyrrol-2-yl-;Methanone,phenyl-1H-pyrrol-2-yl-;KETONE, PHENYL PYRROL-2-YL;Pyrrol-2-ylphenyl ketone;Phenyl pyrrol-2-yl ketone;Phenyl-1H-pyrrol-2-ylmethanone;NSC 75585;BRN 0120606;MLS002693952;5-21-08-00461 (Beilstein Handbook Reference);2-benzoyl pyrrole;NSC75585;Maybridge3_006364;ChemDiv2_003108;NCIOpen2_000432;SCHEMBL1074961;CHEMBL2136039;DTXSID80227753;HMS1377N06;HMS1449B06;HMS3079P21;phenyl-(1H-pyrrol-2-yl)-methanone;AC-106;CCG-42083;MFCD00094048;NSC-75585;AKOS013059135;MB00640;IDI1_017751;AS-60987;LS-87355;SMR000031378;B4934;CS-0156555;FT-0658609;FT-0659240;A838922;J-508101;SR-01000632111-1

Chemical Property of 2-Benzoylpyrrole

Chemical Property:

• Vapor Pressure: 0.000808mmHg at 25°C
• Melting Point: 75-77°C
• Refractive Index: 1.608
• Boiling Point: 305.7 °C at 760 mmHg
• PKA: 15.25±0.50(Predicted)
• Flash Point: 146.6 °C
• PSA: 32.86000
• Density: 1.173 g/cm³
• LogP: 2.24570
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Very Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 171.068413911
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

2-Benzoylpyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CN2

Technology Process of 2-Benzoylpyrrole

There total 69 articles about 2-Benzoylpyrrole 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: 100.0%

2-<2-(2-phenyl-1,3-benzodithionyl)>pyrrole (132371-44-9) → phenyl(1H-pyrrol-2-yl)methanone (7697-46-3)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

Reference yield: 98.0%

pyrrole (109-97-7,30604-81-0) + benzoic acid (65-85-0,8013-63-6) → phenyl(1H-pyrrol-2-yl)methanone (7697-46-3)

Guidance literature:

With aluminium dodecatungsten phosphate; trifluoroacetic anhydride; In hexane; at -23 ℃; for 0.4h;

DOI:10.1016/j.tet.2004.09.049

Reference yield: 95.0%

phenyl(1-tosyl-2,5-dihydro-1H-pyrrol-2-yl)methanone → phenyl(1H-pyrrol-2-yl)methanone (7697-46-3)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 0.25h;

DOI:10.1002/adsc.201300844

upstream raw materials:

sodium benzoate

pyrrole

benzoic acid anhydride

N-benzoylpyrrole

Downstream raw materials:

1-(5-b enzoyl-1H-pyrrol-2-yl)ethan-1-one

2-benzoyl-1-methyl-1H-pyrrole

phenyl-(3,4,5-triiodo-pyrrol-2-yl)-ketone

2-[α-(2-diethylamino-ethoxy)-benzyl]-pyrrole