2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione
• CAS No.: 1520-99-6
• Molecular Formula: C14H22 N2 O2
• Molecular Weight: 250.341
• NSC Number: 32194
• DSSTox Substance ID: DTXSID60283579
• Nikkaji Number: J970.256C
• Wikidata: Q82018197
• ChEMBL ID: CHEMBL3330720,CHEMBL1732536

Synonyms:1520-99-6;MLS002639441;2,5-bis(butylamino)cyclohexa-2,5-diene-1,4-dione;NSC32194;2,5-Bis(butylamino)chinon;CHEMBL1732536;CHEMBL3330720;SCHEMBL15354650;DTXSID60283579;HMS3091P23;NSC-32194;SMR001548885

Chemical Property of 2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Vapor Pressure: 2.92E-06mmHg at 25°C
• Boiling Point: 389.1°Cat760mmHg
• Flash Point: 138.1°C
• Density: 1.05g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 250.168127949
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=CC(=O)C(=CC1=O)NCCCC

Technology Process of 2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione

There total 13 articles about 2,5-Bis(butylamino)cyclohexa-2,5-diene-1,4-dione 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: 88.0%

N-butylamine (109-73-9,85404-21-3) + hydroquinone (123-31-9,8027-02-9) → 2,5-bis(butylamino)-1,4-benzoquinone (1520-99-6)

Guidance literature:

With oxygen; In ethyl acetate; at 25 ℃; for 14h; under 760.051 Torr;

DOI:10.1002/adsc.200900347

Reference yield: 84.0%

N-butylamine (109-73-9,85404-21-3) + p-benzoquinone (106-51-4) → 2,5-bis(butylamino)-1,4-benzoquinone (1520-99-6)

Guidance literature:

With oxygen; cobalt(II) acetate; In dichloromethane; at 20 ℃; for 12h; Darkness;

DOI:10.1002/anie.201805580

Reference yield: 71.0%

4,6-diaminoresorcin dihydrochloride (16523-31-2) + N-butylamine (109-73-9,85404-21-3) → 2,5-bis(butylamino)-1,4-benzoquinone (1520-99-6)

Guidance literature:

In water; at 20 ℃; for 72h;

DOI:10.1002/chem.200500704

upstream raw materials:

2,5-dimethoxyquinone

N-butylamine

p-benzoquinone

4,6-diaminoresorcin dihydrochloride

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