2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl

Base Information

• Chemical Name: 2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl
• CAS No.: 70728-93-7
• Molecular Formula: C20H24Br2
• Molecular Weight: 424.219
• Hs Code.: 2903999090
• European Community (EC) Number: 870-674-6
• DSSTox Substance ID: DTXSID30501858
• Nikkaji Number: J2.113.450C
• Wikidata: Q82354520
• Mol file: 70728-93-7.mol

Synonyms:2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl;70728-93-7;2,2'-DIBROMO-4,4'-DI-TERT-BUTYL-BIPHENYL;2-bromo-1-(2-bromo-4-tert-butylphenyl)-4-tert-butylbenzene;1,1'-Biphenyl, 2,2'-dibromo-4,4'-bis(1,1-dimethylethyl)-;2,2'-Dibromo-4,4'-di-tert-butylbiphenyl;SCHEMBL6253463;DTXSID30501858;VCA72893;CX1322;MFCD20921697;AKOS016008097;2,2'-dibromo-4,4'-di-t-butylbiphenyl;AS-66813;CS-0171687;A914152

Chemical Property of 2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl

Chemical Property:

• PSA: 0.00000
• LogP: 7.47360
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 424.02243
• Heavy Atom Count: 22
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)Br)Br

Technology Process of 2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl

There total 2 articles about 2,2'-Dibromo-4,4'-di-tert-butyl-1,1'-biphenyl 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: 78.0%

4,4'-di-tert-butylbiphenyl (1625-91-8) → 2,2′-dibromo-4,4′-di-tert-butylbiphenyl (70728-93-7)

Guidance literature:

4,4'-di-tert-butylbiphenyl; With iron; In dichloromethane;

With bromine; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1016/j.tetlet.2016.07.106

Reference yield: 36.0%

4,4'-di-tert-butylbiphenyl (1625-91-8) → 2-bromo-4,4'-di-tert-butylbiphenyl (70728-89-1) + 2,2′-dibromo-4,4′-di-tert-butylbiphenyl (70728-93-7)

Guidance literature:

With n-butyllithium; potassium tert-butylate; bromine; In hexane;

DOI:10.1002/ejoc.200300630

Reference yield: 81.0%

n-butyllithium (109-72-8,29786-93-4) + 2,2′-dibromo-4,4′-di-tert-butylbiphenyl (70728-93-7) + dimesitylfluoroborane (436-59-9) → lithium 3,3’-di-tert-butyl-5,5-dimesityl-5H-dibenzo[b,d]borol-5-ide

Guidance literature:

n-butyllithium; 2,2′-dibromo-4,4′-di-tert-butylbiphenyl; In tetrahydrofuran; diethyl ether; at -78 - 25 ℃; for 5h; Schlenk technique; Inert atmosphere;

dimesitylfluoroborane; In tetrahydrofuran; diethyl ether; at 25 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.8b01534

upstream raw materials:

4,4'-di-tert-butylbiphenyl

Downstream raw materials:

2,2'-dibromobiphenyl

4,4'-di-tert-butylbiphenyl

2-bromo-4,4'-di-tert-butylbiphenyl

2,7-di-tert-butyl-9H-9-silafluorene

Refernces

• 1、 Chan, Kaai Tung,Tong, Glenna So Ming,Wan, Qingyun,Cheng, Gang,Yang, Chen,Che, Chi-Ming. "Strongly Luminescent Cyclometalated Gold(III) Complexes Supported by Bidentate Ligands Displaying Intermolecular Interactions and Tunable Emission Energy". supporting information. p. 2104 - 2120. Retrieved 2017/08/23.
• 2、 David,Monkowius,Rust,Lehmann,Hyzak,Mohr. "Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4′-di-tert-butylbiphenyl". . p. 11059 - 11066. Retrieved 2014/07/08.