2-Bromopyrene

Base Information

• Chemical Name: 2-Bromopyrene
• CAS No.: 1714-27-8
• Molecular Formula: C16H9Br
• Molecular Weight: 281.151
• DSSTox Substance ID: DTXSID10169076
• Nikkaji Number: J860.835K
• Wikidata: Q83038728
• Mol file: 1714-27-8.mol

Synonyms:2-Bromopyrene;1714-27-8;Pyrene, 2-bromo-;C16H9Br;2-bromo-pyrene;YSWG471;SCHEMBL730070;Pyrene,2-bromo;2-Bromo-pyrene;DTXSID10169076;FQVOKXARZCJTIT-UHFFFAOYSA-N;BCP34076;AC8273;MFCD16660390;AKOS015904991;SB66722;BS-51371;SY252967;CS-0112277

Chemical Property of 2-Bromopyrene

Chemical Property:

• Vapor Pressure: 5.91E-07mmHg at 25°C
• Melting Point: 135.5 °C
• Refractive Index: 1.858
• Boiling Point: 422.487 °C at 760 mmHg
• Flash Point: 209.379 °C
• PSA: 0.00000
• Density: 1.578 g/cm³
• LogP: 5.34650
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 279.98876
• Heavy Atom Count: 17
• Complexity: 274

Purity/Quality:

99.5% ^*data from raw suppliers

2-Bromopyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)Br)C=C2

Technology Process of 2-Bromopyrene

There total 8 articles about 2-Bromopyrene 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: 96.0%

pyrene (129-00-0) → 2-Bromopyrene (1714-27-8)

Guidance literature:

With N-Bromosuccinimide; In chloroform; at 15 - 20 ℃; for 24h;

DOI:10.1080/00304949709355255

Reference yield: 90.0%

5-bromo-8-methoxy[2.2]metaparacyclophane-1,9-diene → 2-Bromopyrene (1714-27-8)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.0166667h;

DOI:10.1039/b009932p

Reference yield: 88.5%

1-amino-2-bromopyrene → 2-Bromopyrene (1714-27-8)

Guidance literature:

1-amino-2-bromopyrene; With sulfuric acid; for 0.5h;

With sodium nitrite; In water; at 0 - 5 ℃; for 1.5h;

With phosphinic acid; In water; at 0 - 5 ℃; Reagent/catalyst;

upstream raw materials:

4,5,9,10-tetrahydropyrene

pyrene

2-bromo-4,5,9,10-tetrahydropyrene

4,4,5,5-tetramethyl-2-pyren-2-yl-[1, 3, 2]dioxaborolane

Downstream raw materials:

2-(dimesitylboryl)pyrene

2-(4-bromophenyl)pyrene

2,7-dibromo-4,5,9,10-tetrahydropyrene

Refernces

• 1、 -. "DOUBLE-DECKER SILSESQUIOXANE DERIVATIVE AND SYNTHESIZING METHOD THEREOF". Paragraph 0061-0063. . Retrieved 2020/10/10.
• 2、 -. "new transition metal complex with annulated ring substituted arylphenoxy ligand, catalyst composition containing the same for olefin copolymerization and methods for preparing copolymers of ethylene and α-olefins or copolymers of ethylene and olefin-diene using the same". Paragraph 0154; 0156-0157. . Retrieved 2018/10/04.