Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis-

Base Information

• Chemical Name: Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis-
• CAS No.: 26613-38-7
• Molecular Formula: C17H20
• Molecular Weight: 224.346
• DSSTox Substance ID: DTXSID10398849
• Mol file: 26613-38-7.mol

Synonyms:Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis-;26613-38-7;(2-methyl-2-phenylbutyl)benzene;DTXSID10398849;AKOS024323542

Chemical Property of Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis-

Chemical Property:

• 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: 208

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis-

There total 9 articles about Benzene, 1,1'-(1-ethyl-1-methyl-1,2-ethanediyl)bis- 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:

methylmagnesium bromide (75-16-1) + benzyl bromide (100-39-0) + 1-phenyl-propan-1-one (93-55-0) → 3,4-dimethyl-3,4-diphenylhexane (10192-93-5) + 1,2-diphenyl-2-methylbutane (26613-38-7)

Guidance literature:

With vanadium(II)bis-N,N,N’,N’-tetramethylethylenediamine-dichloride; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF; 2.) THF, 25 deg C, 1 h; 3.) THF, reflux, 12 h;

DOI:10.1016/0040-4039(95)01299-W

Reference yield:

3-methyl-2-(4-methylphenylsulfonamido)pentanoic acid (34235-81-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (2-methylbutane-1,1-diyl)dibenzene (26465-78-1) + 1,2-diphenyl-2-methylbutane (26613-38-7)

Guidance literature:

With sulfuric acid; at 60 - 70 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4039(98)01279-9

Reference yield:

(+/-)-2-methyl-2-phenyl-butyryl chloride (3968-69-2) → 1,2-diphenyl-2-methylbutane (26613-38-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) CdCl₂, (ii) /BRN= 1943157/

2: aq. N₂H₄, NaOH

With sodium hydroxide; hydrazine hydrate;

upstream raw materials:

2-chloro-2-phenylbutane

benzylmagnesium chloride

methylmagnesium bromide

benzyl bromide