1,3-Di-tert-butylnaphthalene

Base Information

• Chemical Name: 1,3-Di-tert-butylnaphthalene
• CAS No.: 22495-85-8
• Molecular Formula: C18H24
• Molecular Weight: 240.389
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID60502212
• Nikkaji Number: J83.190E
• Wikidata: Q82355060
• Mol file: 22495-85-8.mol

Synonyms:1,3-Di-tert-butylnaphthalene;22495-85-8;DTXSID60502212

Chemical Property of 1,3-Di-tert-butylnaphthalene

Chemical Property:

• PSA: 0.00000
• LogP: 5.43480
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 240.187800766
• Heavy Atom Count: 18
• Complexity: 275

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)C1=CC2=CC=CC=C2C(=C1)C(C)(C)C

Technology Process of 1,3-Di-tert-butylnaphthalene

There total 4 articles about 1,3-Di-tert-butylnaphthalene 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:

naphthalene (91-20-3,71998-51-1,72931-45-4) + isobutene (115-11-7,15220-85-6) → 1-(tert-butyl)naphthalene (17085-91-5) + 1,4-di-tert-butylnaphthalene (10565-10-3) + 1,7-di-t-butylnaphthalene (243664-95-1) + 1,6-di-t-butylnaphthalene + 1,5-di-tert-butylnaphthalene (24157-76-4) + 1,3-di-tert-butylnaphthalene (22495-85-8) + 2-tert-butylnaphthalene (2876-35-9) + 2,7-di-tert-butylnaphthalene (10275-58-8) + 2,6-di-tert-butylnaphthalene (3905-64-4)

Guidance literature:

With H-mordenite; at 300 ℃; for 4h; under 3750.38 Torr; Autoclave;

DOI:10.1246/bcsj.81.1166

Reference yield:

3,5-Di-tert-butyl-11-oxa-tricyclo[6.2.1.02,7]undeca-2,4,6-triene → 1,3-di-tert-butylnaphthalene (22495-85-8)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1021/jo00836a077

Reference yield:

1,3-di-tert-butyl-1,4-dihydro-1,4-ethanonaphthalene-9,10-dione (24478-77-1) → 1,3-di-tert-butylnaphthalene (22495-85-8)

Guidance literature:

In tetrahydrofuran; for 1h; Inert atmosphere; Irradiation;

DOI:10.1021/ol302997q

upstream raw materials:

1,3-Di-tert-butyl-9.10-dioxo-1.4-dihydro-1.4-aethano-naphthalin

naphthalene

isobutene

1,3-di-tert-butyl-1,4-dihydro-1,4-ethanonaphthalene-9,10-dione

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