1-Methyl-3-phenylindan

Base Information

• Chemical Name: 1-Methyl-3-phenylindan
• CAS No.: 6416-39-3
• Molecular Formula: C16H16
• Molecular Weight: 208.303
• Hs Code.: 2902909090
• European Community (EC) Number: 229-125-0
• DSSTox Substance ID: DTXSID70982667
• Nikkaji Number: J101.750K
• Mol file: 6416-39-3.mol

Synonyms:1-Methyl-3-phenylindan;6416-39-3;1-methyl-3-phenyl-2,3-dihydro-1H-indene;1-METHYL-3-PHENYLINDANE;EINECS 229-125-0;UNII-0A7NF417XS;Indan, 1-methyl-3-phenyl-;1H-Indene, 2,3-dihydro-1-methyl-3-phenyl-;1-methyl-3-phenyl-indane;Indane, 1-methyl-3-phenyl-;0A7NF417XS;DTXSID70982667;AKOS025296139;1H-Indene, 2,3-dihydro-1-methyl-3-phenyl;FT-0654691;A834659

Chemical Property of 1-Methyl-3-phenylindan

Chemical Property:

• Vapor Pressure: 0.000943mmHg at 25°C
• Boiling Point: 312.9°C at 760 mmHg
• Flash Point: 148.1°C
• PSA: 0.00000
• Density: 1.027g/cm³
• LogP: 4.32570
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 208.125200510
• Heavy Atom Count: 16
• Complexity: 226

Purity/Quality:

97% ^*data from raw suppliers

1-METHYL-3-PHENYLINDANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2=CC=CC=C12)C3=CC=CC=C3

Technology Process of 1-Methyl-3-phenylindan

There total 37 articles about 1-Methyl-3-phenylindan 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: 69.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 1-methyl-3-phenylindan (6416-39-3)

Guidance literature:

With sulfuric acid; In water; at 120 ℃; for 16h;

DOI:10.1007/BF00958846

Reference yield: 59.0%

1-Phenylethanol (98-85-1,13323-81-4) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethylbenzene (100-41-4,27536-89-6) + bis(1-phenylethyl)ether (93-96-9) + 1,3-diphenyl-1-butene (7614-93-9) + 1-methyl-3-phenylindan (6416-39-3)

Guidance literature:

With HY-100 zeolite; In tetrachloromethane; at 78 ℃; for 17h; Mechanism; Product distribution; other benzylic alcohols;

Reference yield: 50.0%

(E)-1,3-diphenyl-1-butene (7302-00-3,7614-93-9,79767-68-3,79767-69-4,7302-01-4,180140-70-9) → 1-methyl-3-phenylindan (6416-39-3) + 1,3-diphenyl-1-(p-tolyl)butane (132639-52-2)

Guidance literature:

With toluene-4-sulfonic acid; hydroquinone; In toluene; at 110 ℃; for 10.5h; other aromatic solvents;

DOI:10.1007/BF00958846

upstream raw materials:

styrene

1,2-dichlorobutane

benzene

diphenylether

Downstream raw materials:

2-phenylindene

3-methyl-2-phenyl-1H-indene

1-Cyclohexyl-3-methyl-hydrindan

1-methyl-3-(o-chloro)-phenyl-7-chloroindan