2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone

Base Information

• Chemical Name: 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone
• CAS No.: 50371-52-3
• Molecular Formula: C6H2 Br2 Cl3 N O
• Molecular Weight: 370.255
• Hs Code.: 2933990090
• European Community (EC) Number: 837-771-5
• DSSTox Substance ID: DTXSID70376906
• Nikkaji Number: J868.442A
• Wikidata: Q82165823
• Mol file: 50371-52-3.mol

Synonyms:50371-52-3;2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone;2,2,2-Trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-1-ethanone;2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethan-1-one;Ethanone, 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-;2,3-Dibromo-5-(trichloroacetyl)-1H-pyrrole;4,5-dibromopyrrol-2-yl trichloromethyl ketone;2,2,2-Trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-ethanone;SCHEMBL1518083;DTXSID70376906;UPHLPKSZCXJTRC-UHFFFAOYSA-N;MFCD00662082;AKOS005069335;AKOS025394710;CS-0060156;FT-0679968;EN300-134298;W17454;2-Pyrimidinecarboxylicacid,5-(aminomethyl)-(9CI);A871581;10X-0700;J-506710

Chemical Property of 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 3.99E-07mmHg at 25°C
• Melting Point: 137-139°C
• Boiling Point: 415.9°C at 760 mmHg
• Flash Point: 205.3°C
• PSA: 32.86000
• Density: 2.232g/cm³
• LogP: 4.09260
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 368.75482
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=C1Br)Br)C(=O)C(Cl)(Cl)Cl

Technology Process of 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone

There total 4 articles about 2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)ethanone 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%

pyrrol-2-yl trichloromethyl ketone (35302-72-8) → 4,5-dibromopyrrol-2-yl trichloromethyl ketone (50371-52-3)

Guidance literature:

With bromine; acetic acid; at 18 - 60 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201800422

Reference yield: 10.0%

pyrrol-2-yl trichloromethyl ketone (35302-72-8) → 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (72652-32-5) + 4,5-dibromopyrrol-2-yl trichloromethyl ketone (50371-52-3)

Guidance literature:

With bromine; In chloroform; at 0 ℃; for 4.5h;

DOI:10.1021/jo00009a008

Reference yield:

aqueous potassium carbonate + pyrrol-2-yl trichloromethyl ketone (35302-72-8) → 4,5-dibromopyrrol-2-yl trichloromethyl ketone (50371-52-3)

Guidance literature:

In bromine; acetic acid;

upstream raw materials:

pyrrol-2-yl trichloromethyl ketone

Downstream raw materials:

oroidin

4,5-dibromo-1H-pyrrole-2-carboxylic acid

4,5-dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-1-trityl-1H-imidazol-4-yl)-prop-2-ynyl]-amide

4,5-dibromo-1H-pyrrole-2-carboxylic acid [3-(2-phenylsulfanyl-3H-imidazol-4-yl)propyl]amide