p-Benzoquinone, 2-(dimethylamino)-

Base Information

• Chemical Name: p-Benzoquinone, 2-(dimethylamino)-
• CAS No.: 3958-86-9
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• DSSTox Substance ID: DTXSID10192703
• Nikkaji Number: J65.484A
• Wikidata: Q83065367
• Mol file: 3958-86-9.mol

Synonyms:p-Benzoquinone, 2-(dimethylamino)-;3958-86-9;2-(dimethylamino)cyclohexa-2,5-diene-1,4-dione;BRN 2802830;2-Dimethylamino-1,4-benzoquinone;2-(dimethylamino)-1,4-benzoquinone;4-14-00-00361 (Beilstein Handbook Reference);dimethylaminoquinone;SCHEMBL5179874;DTXSID10192703;LS-40355;2,5-Cyclohexadiene-1,4-dione, 2-(dimethylamino)-

Chemical Property of p-Benzoquinone, 2-(dimethylamino)-

Chemical Property:

• Vapor Pressure: 0.0547mmHg at 25°C
• Melting Point: 112 °C
• Boiling Point: 233.8°C at 760 mmHg
• PKA: 1.45±0.20(Predicted)
• Flash Point: 95.9°C
• PSA: 37.38000
• Density: 1.16g/cm³
• LogP: 0.13990
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Benzoquinone, 2-(dimethylamino)-

There total 8 articles about p-Benzoquinone, 2-(dimethylamino)- 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: 81.0%

dimethyl amine (124-40-3) + p-benzoquinone (106-51-4) → 2-(N,N-dimethylamino)-1,4-benzoquinone (3958-86-9) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

In diethyl ether; water; isopropyl alcohol; for 16h; Ambient temperature;

Reference yield: 46.0%

dimethyl amine (124-40-3) + p-benzoquinone (106-51-4) → 2-(N,N-dimethylamino)-1,4-benzoquinone (3958-86-9)

Guidance literature:

With potassium dihydrogenphosphate; In chloroform; water; for 8h;

DOI:10.1007/BF00807099

Reference yield: 30.8%

dimethyl amine (124-40-3) + p-benzoquinone (106-51-4) → 2-(N,N-dimethylamino)-1,4-benzoquinone (3958-86-9) + 2-Dimethylamino-5-(p-hydroxy-phenoxy)-benzochinon-(1,4)

Guidance literature:

In pyridine; ethanol; at 0 ℃; for 12h;

DOI:10.1007/BF00807099

upstream raw materials:

3-Dimethylaminophenol

4-(N,N-dimethylamino)phenol

4a-hydroperoxy-N⁵-ethyl-N³-methyllumiflavin

dimethyl amine

Downstream raw materials:

2-Iod-3-methylamino-p-benzochinon