3,4-Dimethyl-3,4-diphenylhexane

Base Information

• Chemical Name: 3,4-Dimethyl-3,4-diphenylhexane
• CAS No.: 10192-93-5
• Molecular Formula: C20H26
• Molecular Weight: 266.426
• Hs Code.: 29029000
• European Community (EC) Number: 233-474-4
• DSSTox Substance ID: DTXSID30884456
• Nikkaji Number: J227.093E
• Mol file: 10192-93-5.mol

Synonyms:3,4-Dimethyl-3,4-diphenylhexane;10192-93-5;(3,4-dimethyl-4-phenylhexan-3-yl)benzene;(3,4-Dimethylhexane-3,4-diyl)dibenzene;EINECS 233-474-4;1,1'-(1,2-Diethyl-1,2-dimethylethylene)bisbenzene;Benzene, 1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis-;(1-ethyl-1,2-dimethyl-2-phenylbutyl)benzene;DTXSID30884456;AKOS024318871;W-110258;1,1'-(1,2-Diethyl-1,2-dimethyl-1,2-ethanediyl)bisbenzene

Chemical Property of 3,4-Dimethyl-3,4-diphenylhexane

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Melting Point: 28.9°C (estimate)
• Refractive Index: 1.5327 (estimate)
• Boiling Point: 339.1°Cat760mmHg
• Flash Point: 168.3°C
• PSA: 0.00000
• Density: 0.939g/cm³
• LogP: 5.72220
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 266.203450829
• Heavy Atom Count: 20
• Complexity: 252

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1-ETHYL-1,2-DIMETHYL-2-PHENYLBUTYL)BENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36/37/39-28B-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethyl-3,4-diphenylhexane

There total 26 articles about 3,4-Dimethyl-3,4-diphenylhexane 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: 91.0%

methylmagnesium bromide (75-16-1) + 1-phenyl-propan-1-one (93-55-0) → 2-phenyl-2-butanol (1565-75-9,19641-57-7) + 3,4-dimethyl-3,4-diphenylhexane (10192-93-5)

Guidance literature:

With Vanadium (III) chloride-(tris-tetrahydrofuran); vanadium(II)bis-N,N,N’,N’-tetramethylethylenediamine-dichloride; In tetrahydrofuran; Product distribution; various vanadium reagents;

DOI:10.1021/jo971164+

Reference yield: 82.0%

sec-Butylbenzene (135-98-8,36383-15-0) → 3,4-dimethyl-3,4-diphenylhexane (10192-93-5)

Guidance literature:

With di-tert-butyl peroxide; sodium acetate; at 120 ℃; for 10h; Schlenk technique; Green chemistry;

DOI:10.1002/adsc.201701389

Reference yield: 12.0%

2-phenyl-2-butanol (1565-75-9,19641-57-7) → 3,4-dimethyl-3,4-diphenylhexane (10192-93-5)

Guidance literature:

With hydrogen bromide; acetic acid; zinc; at 0 - 5 ℃;

upstream raw materials:

terephthalonitrile

1-(1-Ethyl-1,2-dimethyl-2-phenyl-butyl)-4-methoxy-benzene

methanol

sec-Butylbenzene

Downstream raw materials:

meso-3,4-Dicyclohexyl-3,4-dimethylhexan

meso-3,4-dimethyl-3,4-bis(4'-nitrophenyl)hexane

phenyl-sec.-butyl radical

meso-3,4-dimethyl-3,4-bis(4'-aminophenyl)hexane

Refernces

• 1、 Kataoka, Yasutaka,Makihira, Isamu,Akiyama, Hiroaki,Tani, Kazuhide. "Vanadium(II) complexes as efficient reagents for direct construction of asymmetric quaternary carbons from carbonyl compounds". . p. 6495 - 6498. Retrieved 1995.
• 2、 Kataoka, Yasutaka,Akiyama, Hiroaki,Makihira, Isamu,Tani, Kazuhide. "A novel C-C single bond formation by use of ketones, alkylmagnesium bromide, and low-valent vanadium in the presence of a catalytic amount of molecular oxygen". . p. 6094 - 6095. Retrieved 1996.
• 3、 -. "Method for synthesizing 1,2-diphenylethane derivative by catalyzing coupling of sp3C-H bond through graphene-loaded palladium/platinum". Paragraph 0025; 0026. . Retrieved 2018/07/15.