Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-

Base Information

• Chemical Name: Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-
• CAS No.: 31516-55-9
• Deprecated CAS: 84434-92-4
• Molecular Formula: C18H22
• Molecular Weight: 238.373
• Hs Code.: 2902909090
• NSC Number: 405244
• DSSTox Substance ID: DTXSID70885503
• Nikkaji Number: J53.475G
• Mol file: 31516-55-9.mol

Synonyms:31516-55-9;Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-;2,4-diphenyl-2-methylpentane;NSC 405244;NSC405244;4-methyl-2,4-diphenylpentane;DTXSID70885503;C(C)(C)(CC(C)c1ccccc1)c2ccccc2;NSC-405244;Benzene,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-

Chemical Property of Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-

Chemical Property:

• Boiling Point: 317.5oC at 760 mmHg
• Flash Point: 151.6oC
• PSA: 0.00000
• Density: 0.951g/cm3
• LogP: 5.15800
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 238.172150702
• Heavy Atom Count: 18
• Complexity: 228

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-

There total 5 articles about Benzene, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)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: 100.0%

2,4-diphenyl-4-methyl-pent-1-ene (6362-80-7) → 2,4-diphenyl-2-methylpentane (31516-55-9)

Guidance literature:

With hydrogen; polymer incarcerated palladium; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jo0358527

Reference yield: 92.0%

→ 2,4-diphenyl-2-methylpentane (31516-55-9)

Guidance literature:

Reference yield:

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → (3,3-dimethylbut-1-ene-1,1-diyl)dibenzene (23586-64-3) + 1,1,3-trimethyl-3-phenylindane (3910-35-8) + 2,4-diphenyl-2-methylpentane (31516-55-9) + 2,4-diphenyl-4-methyl-pent-1-ene (6362-80-7) + 4-methyl-2,4-diphenylpent-2-ene (22768-22-5,22768-23-6,6258-73-7)

Guidance literature:

With monoaluminum phosphate; zinc(II) tetrahydroborate; In 1,2-dimethoxyethane; for 1.5h; Product distribution; Ambient temperature; other reagents; product selectivity;

DOI:10.1080/00397919608002600

upstream raw materials:

4-methyl-2,4-diphenylpent-2-ene

4-Methyl-4-phenyl-2-pentanone

isopropenylbenzene

2,4-diphenyl-4-methyl-pent-1-ene

Downstream raw materials:

Isopropylbenzene

2-methyl-2-phenylpentane

1,3,3-trimethylindane

ethylbenzene