2,7-Di-tert-butyl-1,4-naphthoquinone

Base Information

• Chemical Name: 2,7-Di-tert-butyl-1,4-naphthoquinone
• CAS No.: 10239-91-5
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.371
• European Community (EC) Number: 660-937-1
• Mol file: 10239-91-5.mol

Synonyms:2,7-di-tert-butyl-1,4-naphthoquinone;SCHEMBL3420308;AKOS000592841;Z56771322

Chemical Property of 2,7-Di-tert-butyl-1,4-naphthoquinone

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 457

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,7-DI-TERT-BUTYL-1,4-NAPHTHOQUINONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C=C1)C(=O)C=C(C2=O)C(C)(C)C

Technology Process of 2,7-Di-tert-butyl-1,4-naphthoquinone

There total 3 articles about 2,7-Di-tert-butyl-1,4-naphthoquinone 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:

2,7-di-tert-butylnaphthalene (10275-58-8) → 2,7-di-tertbutyl-1,4-naphthoquinone (10239-91-5)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/ja01609a078

Reference yield:

Sodium; 3,6-di-tert-butyl-naphthalene-1-sulfonate → 2,7-di-tertbutyl-1,4-naphthoquinone (10239-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄ / 150 - 160 °C

2: CrO₃, AcOH

With chromium(VI) oxide; sulfuric acid; acetic acid;

DOI:10.1139/v61-088

Reference yield:

→ 2,7-di-tertbutyl-1,4-naphthoquinone (10239-91-5)

Guidance literature:

/BRN= 45783/, CrO3, HOAc;

DOI:10.1021/jo00822a014

upstream raw materials:

2,7-di-tert-butylnaphthalene