1,1-Di-p-tolylethane

Base Information

• Chemical Name: 1,1-Di-p-tolylethane
• CAS No.: 530-45-0
• Molecular Formula: C16H18
• Molecular Weight: 210.319
• Hs Code.: 2902909090
• European Community (EC) Number: 208-480-5
• UNII: 470E1250UR
• DSSTox Substance ID: DTXSID6060189
• Nikkaji Number: J182.297G
• Wikidata: Q27258974
• Mol file: 530-45-0.mol

Synonyms:1,1-Di-p-tolylethane;530-45-0;Benzene, 1,1'-ethylidenebis[4-methyl-;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene;UNII-470E1250UR;EINECS 208-480-5;470E1250UR;Benzene, 1,1'-ethylidenebis(4-methyl-;bis(p-tolyl)ethane;1,1-Di(p-tolyl)ethane;alpha,alpha-di-p-tolylethane;ASYM-DI-P-TOLYLETHANE;DTXSID6060189;1,1-BIS(P-TOLYL)ETHANE;ETHANE, 1,1-DI-P-TOLYL-;1,1-DI-P-TOLYLETHANE [MI];1,1-DI(4-METHYLPHENYL)ETHANE;1,1-BIS(4-METHYLPHENYL)ETHANE;1,1'-Ethylidenebis-nu[4-methylbenzene];3-oxo-cyclopentanecarboxylicacidethylester;.ALPHA.,.ALPHA.-DI-P-TOLYLETHANE;1-methyl-4-[1-(p-tolyl)-ethyl]-benzene;1,1'-ETHYLIDENEBIS(4-METHYLBENZENE);A7848;FT-0655428;4,4',.ALPHA.-TRIMETHYLDIPHENYLMETHANE;Q27258974

Chemical Property of 1,1-Di-p-tolylethane

Chemical Property:

• Vapor Pressure: 0.00218mmHg at 25°C
• Melting Point: -19.9°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 299°Cat760mmHg
• Flash Point: 142.1°C
• PSA: 0.00000
• Density: 0.961g/cm³
• LogP: 4.45520
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 210.140850574
• Heavy Atom Count: 16
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

1-METHYL-4-[1-(4-METHYLPHENYL)ETHYL]BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1-Di-p-tolylethane

There total 33 articles about 1,1-Di-p-tolylethane 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: 99.0%

1,1-di(p-tolyl)ethylene (2919-20-2) → 1,1-di(4-methylphenyl)ethane (530-45-0)

Guidance literature:

With 1,3,5-trimethylcyclohexane-1,4-diene; tris(pentafluorophenyl)borate; at 20 ℃; for 8h; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201504941

Reference yield: 48.0%

2-methoxypropionic acid (4324-37-2) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,1-di(4-methylphenyl)ethane (530-45-0)

Guidance literature:

With methanesulfonic acid; phosphorus pentoxide; for 48h; Ambient temperature; other temperature, reaction time;

DOI:10.1021/jo960103t

Reference yield:

1,1-di(p-tolyl)ethylene (2919-20-2) → bis(p-methylphenyl)-methanone (611-97-2) + 1,1-di(4-methylphenyl)ethane (530-45-0)

Guidance literature:

With CaY zeolite; In hexane; for 3h; Yield given; Yields of byproduct given; Ambient temperature;

DOI:10.1021/jp980385w

upstream raw materials:

1,1-di(p-tolyl)ethylene

2,2-bis(4-methylphenyl)propionic acid

1,1-dichloroethane

toluene

Downstream raw materials:

1-ethenyl-4-methylbenzene

4-methylethylbenzene

1,2-bis(4-methylphenyl)acetylene

4,4'-sec-butylidene-di-benzoic acid

Refernces

• 1、 Matsuda,Hoffenberg. "". . p. 3256. Retrieved 1962.
• 2、 Keess, Sebastian,Oestreich, Martin. "3-tert-Butyl-Substituted Cyclohexa-1,4-dienes as Isobutane Equivalents in the B(C6F5)3-Catalyzed Transfer Hydro-tert-Butylation of Alkenes". supporting information. p. 5925 - 5928. Retrieved 2017/05/05.
• 3、 Das, Biswanath,Krishnaiah, Martha,Laxminarayana, Keetha,Damodar, Kongara,Kumar, D. Nandan. "Simple and efficient metal-free hydroarylation and hydroalkylation using strongly acidic ion-exchange resin". experimental part. p. 42 - 43. Retrieved 2009/12/02.