(2-Methyl-4-phenylbutan-2-yl)benzene

Base Information

• Chemical Name: (2-Methyl-4-phenylbutan-2-yl)benzene
• CAS No.: 1520-43-0
• Molecular Formula: C17H20
• Molecular Weight: 224.34
• Hs Code.: 2902909090
• NSC Number: 54377
• DSSTox Substance ID: DTXSID20288146
• Nikkaji Number: J134.860D
• Wikidata: Q82024445
• Mol file: 1520-43-0.mol

Synonyms:1520-43-0;(2-methyl-4-phenylbutan-2-yl)benzene;1,1/'-(1,1-Dimethyl-1,3-propanediyl)bisbenzene;NSC54377;1,3-diphenyl-3-methylbutane;DTXSID20288146;RINORDAAAOQWBA-UHFFFAOYSA-N;NSC-54377;1,1'-(3-Methylbutane-1,3-diyl)dibenzene

Chemical Property of (2-Methyl-4-phenylbutan-2-yl)benzene

Chemical Property:

• Boiling Point: 115-119 °C(Press: 1.5 Torr)
• PSA: 0.00000
• Density: 0.9879 g/cm3
• LogP: 4.59700
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 224.156500638
• Heavy Atom Count: 17
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of (2-Methyl-4-phenylbutan-2-yl)benzene

There total 12 articles about (2-Methyl-4-phenylbutan-2-yl)benzene 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: 86.0%

(3-bromo-3-methyl-n-butyl)benzene (52017-21-7) + 9-phenyl-9-borabicyclo[3.3.1]nonane (23418-91-9) → 2,4-bis-(phenyl)-2-methylbutane (1520-43-0)

Guidance literature:

9-phenyl-9-borabicyclo[3.3.1]nonane; With lithium tert-butoxide; In 2-methyl-propan-1-ol; benzene; at 20 ℃; for 0.333333h; Schlenk technique; Inert atmosphere;

(3-bromo-3-methyl-n-butyl)benzene; With nickel(II) bromide diethylene glycol dimethyl ether; 4,4'-di-tert-butyl-2,2'-bipyridine; In 2-methyl-propan-1-ol; benzene; at 20 - 40 ℃; for 28.5h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja311669p

Reference yield: 63.0%

4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl 2,2-dimethyl-4-phenylbutanoate + diphenylzinc (1078-58-6) → 2,4-bis-(phenyl)-2-methylbutane (1520-43-0)

Guidance literature:

4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl 2,2-dimethyl-4-phenylbutanoate; With 1,3-dimethyl-2-imidazolidinone; C₂₂H₃₈NiO₄*(x)H₂O; zinc dibromide; In tetrahydrofuran; for 0.166667h; Inert atmosphere;

diphenylzinc; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201814524

Reference yield:

→ 2,4-bis-(phenyl)-2-methylbutane (1520-43-0)

Guidance literature:

With copper oxide-chromium oxide; benzene; at 185 ℃; under 80905.8 Torr; Hydrogenation;

DOI:10.1021/ja01555a029

upstream raw materials:

styrene

Isopropylbenzene

2-(2-Hydroxy-phenyl)-4-(4-hydroxy-phenyl)-2-methyl-butan

4-(3-methylbut-2-en-1-yl)phenol

Refernces

• 1、 Chen, Tie-Gen,Zhang, Haolin,Mykhailiuk, Pavel K.,Merchant, Rohan R.,Smith, Courtney A.,Qin, Tian,Baran, Phil S.. "Quaternary Centers by Nickel-Catalyzed Cross-Coupling of Tertiary Carboxylic Acids and (Hetero)Aryl Zinc Reagents". . p. 2454 - 2458. Retrieved 2019/02/09.
• 2、 -. "Process for introduction of styrenes in side chain of substituted aromatic compounds". . . Retrieved 2008/06/13.