1,1'-(1H-pyrrole-2,4-diyl)diethanone

Base Information

• Chemical Name: 1,1'-(1H-pyrrole-2,4-diyl)diethanone
• CAS No.: 63547-61-5
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50434058
• Nikkaji Number: J515.903B

Synonyms:63547-61-5;1,1'-(1H-pyrrole-2,4-diyl)diethanone;2,4-Diacetyl-1H-pyrrole;DTXSID50434058;1-(4-ACETYL-1H-PYRROL-2-YL)ETHANONE;1,1'-(1H-Pyrrole-2,4-diyl)di(ethan-1-one)

Chemical Property of 1,1'-(1H-pyrrole-2,4-diyl)diethanone

Chemical Property:

• PSA: 49.93000
• LogP: 1.41990
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

1,1'-(1H-pyrrole-2,4-diyl)bis-Ethanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CN1)C(=O)C

Technology Process of 1,1'-(1H-pyrrole-2,4-diyl)diethanone

There total 12 articles about 1,1'-(1H-pyrrole-2,4-diyl)diethanone 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%

1-[5-(2-Methyl-benzo[1,3]dithiol-2-yl)-1H-pyrrol-3-yl]-ethanone (147089-10-9) → 1,1'-(1H-pyrrole-2,4-diyl)bis(ethan-1-one) (63547-61-5)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In dimethyl sulfoxide; for 0.5h; Ambient temperature;

Reference yield: 92.0%

3-acetylpyrrole (1072-82-8) + acetyl chloride (75-36-5) → 1,1'-(1H-pyrrole-2,4-diyl)bis(ethan-1-one) (63547-61-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 0.5h; Ambient temperature;

Reference yield: 91.0%

1-[4-(2-Methyl-benzo[1,3]dithiol-2-yl)-1H-pyrrol-2-yl]-ethanone (147089-46-1) → 1,1'-(1H-pyrrole-2,4-diyl)bis(ethan-1-one) (63547-61-5)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In dimethyl sulfoxide; for 0.5h; Ambient temperature;

upstream raw materials:

3-acetylpyrrole

acetyl chloride

2-Acetylpyrrole

1-[4-(2-Methyl-benzo[1,3]dithiol-2-yl)-1H-pyrrol-2-yl]-ethanone

Downstream raw materials:

1-[5-acetyl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-ethan-1-one

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