(tert-Butyl)methylnaphthalene

Base Information

• Chemical Name: (tert-Butyl)methylnaphthalene
• CAS No.: 38641-17-7
• Molecular Formula: C15H18
• Molecular Weight: 198.308
• Hs Code.: 2902909090
• European Community (EC) Number: 254-055-2
• DSSTox Substance ID: DTXSID20959480
• Wikidata: Q82940246
• Mol file: 38641-17-7.mol

Synonyms:(tert-Butyl)methylnaphthalene;EINECS 254-055-2;38641-17-7;1-(2,2-dimethylpropyl)naphthalene;DTXSID20959480

Chemical Property of (tert-Butyl)methylnaphthalene

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Boiling Point: 297.3°Cat760mmHg
• Flash Point: 135.9°C
• PSA: 0.00000
• Density: 0.962g/cm³
• LogP: 4.44570
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 198.140850574
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC1=CC=CC2=CC=CC=C21

Technology Process of (tert-Butyl)methylnaphthalene

There total 2 articles about (tert-Butyl)methylnaphthalene 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: 43.0%

trans-3-(4-tert-butylstyryl)furan (1562367-92-3) → 7-tert-butyl-2-methylnaphthalene (38641-17-7,84029-70-9)

Guidance literature:

With potassium hydroxide; In methanol; water; at 40 ℃; for 3h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1016/j.tet.2014.01.035

Reference yield:

tertiary butyl chloride (507-20-0) + 2-Methylnaphthalene (91-57-6,34468-07-0) → 6-tert-butyl-2-methylnaphthalene (84029-69-6) + 7-tert-butyl-2-methylnaphthalene (38641-17-7,84029-70-9)

Guidance literature:

With aluminium trichloride; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

tertiary butyl chloride

2-Methylnaphthalene

trans-3-(4-tert-butylstyryl)furan

Refernces

• 1、 Jackson, Richard A.,Rhodes, Christopher J.. "Electron Paramagnetic Resonance Spectra of Substituted 1- and 2-Naphthylmethyl Radicals". . p. 53 - 57. Retrieved 2007/10/02.