2,5-Di-tert-amylquinone

Base Information

• Chemical Name: 2,5-Di-tert-amylquinone
• CAS No.: 4584-63-8
• Molecular Formula: C16H24O2
• Molecular Weight: 248.365
• Hs Code.: 2914690090
• NSC Number: 124509
• DSSTox Substance ID: DTXSID90196628
• Nikkaji Number: J102.919C
• Wikidata: Q83069655
• ChEMBL ID: CHEMBL4209671
• Mol file: 4584-63-8.mol

Synonyms:2,5-di-t-amyl-p-benzoquinone;2,5-di-tert-pentyl-p-benzoquinone;DAQ

Chemical Property of 2,5-Di-tert-amylquinone

Chemical Property:

• Vapor Pressure: 0.000336mmHg at 25°C
• Melting Point: 137oC
• Boiling Point: 319.6°C at 760 mmHg
• Flash Point: 119.7°C
• PSA: 34.14000
• Density: 1.003g/cm³
• LogP: 3.86340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.177630004
• Heavy Atom Count: 18
• Complexity: 392

Purity/Quality:

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

2,5-Di-tert-amylbenzoquinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC

Technology Process of 2,5-Di-tert-amylquinone

There total 2 articles about 2,5-Di-tert-amylquinone 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: 78.0%

2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) → 2,5-bis-(1,1-dimethylpropyl)-1,4-benzoquinone (4584-63-8)

Guidance literature:

With sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; In ethyl acetate; for 0.0833333h; Ambient temperature;

DOI:10.1055/s-1980-29179

Reference yield:

hydroquinone (123-31-9,8027-02-9) → 2,5-bis-(1,1-dimethylpropyl)-1,4-benzoquinone (4584-63-8)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid / man gibt dann Amylen zu

2: alcohol; FeCl₃

With ethanol; iron(III) chloride; acetic acid;

Reference yield: 95.0%

2,5-bis-(1,1-dimethylpropyl)-1,4-benzoquinone (4584-63-8) + bis[bis(trimethylsilyl)amino]germanium(II) (59863-12-6) → Ge(N(Si(CH3)3)2)2OC6H2(C5H11)2O

Guidance literature:

In hexane; (Ar); 5 min;

DOI:10.1021/ja00113a008

upstream raw materials:

2,5-di(tert-amyl)-1,4-hydroquinone

hydroquinone

Downstream raw materials:

2,3-Dichlor-2,5-di-t-pentyl-5-cyclohexen-1,4-dion

2,5-di(tert-amyl)-1,4-hydroquinone

2-Chlor-3,6-di-t-pentyl-1,4-benzochinon

2,5-Dichlor-3,6-di-t-pentyl-1,4-benzochinon

Refernces