2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME

Base Information

• Chemical Name: 2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME
• CAS No.: 15052-28-5
• Molecular Formula: C14H21 N O2
• Molecular Weight: 235.326
• Hs Code.: 2928000090
• Mol file: 15052-28-5.mol

Synonyms:p-Benzoquinone,2,6-di-tert-butyl-, 4-oxime (6CI,7CI,8CI)

Chemical Property of 2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 218-220°C
• Boiling Point: °Cat760mmHg
• PKA: 6.49±0.58(Predicted)
• Flash Point: °C
• PSA: 49.66000
• Density: 1g/cm³
• LogP: 3.34430

Purity/Quality:

99% ^*data from raw suppliers

2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

Technology Process of 2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME

There total 16 articles about 2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME 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: 92.0%

2-phenylethyl aci-nitronate (71671-11-9) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → ethyl 3-benzylacrylate (54966-42-6,1466-22-4) + 2,6-di-tert-butyl-1,4-benzoquinone monooxime (15052-28-5)

Guidance literature:

In tetrahydrofuran; for 10h; Heating;

DOI:10.1246/cl.1980.927

Reference yield: 81.0%

2,6-di-tert-butylphenol (128-39-2) → 2,6-di-tert-butyl-1,4-benzoquinone monooxime (15052-28-5)

Guidance literature:

With hydrogenchloride; sodium nitrite; In ethanol; water; at -5 ℃;

DOI:10.1016/j.dyepig.2011.06.029

Reference yield: 75.0%

C22H37NO3 (75958-87-1) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → ethyl (E)-2-decenate (7367-88-6) + 2,6-di-tert-butyl-1,4-benzoquinone monooxime (15052-28-5)

Guidance literature:

In tetrahydrofuran; for 16h; Heating;

DOI:10.1246/cl.1980.927

upstream raw materials:

2,6-Di-tert-butyl-1,4-benzoquinone

2-phenylethyl aci-nitronate

ethyl (triphenylphosphoranylidene)acetate

(Z)-3-hexenyl aci-nitronate

Downstream raw materials:

3,5-Di-tert.-butyl-p-benzochinonmonoxim-<4-oxo-1,3-di-tert.-butyl-5-phenyl-cyclohexadien-(2,5)-yl>-ether

3,5-Di-tert.-butyl-p-benzochinonmonoxim-(4-oxo-3,5-di-tert.-butyl-1-cyan-cyclohexadien-(2,5)-yl)-aether

2,6-di-tert-butyl-4-aminophenol

2,6-di-tert-butyl-4-[(4-methylphenyl)aminocarbonyloxyimino]cyclohexa-2,5-dien-1-one

Refernces

• 1、 Song, Kebiao,Xu, Xing,Liu, Peng,Chen, Lili,Shen, Xu,Liu, Junhua,Hu, Lihong. "Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists". . p. 6427 - 6436. Retrieved 2015/10/05.
• 2、 Astolfi, Paola,Panagiotaki, Maria,Greci, Lucedio. "New insights into the reactivity of nitrogen dioxide with substituted phenols: A solvent effect". . p. 3052 - 3059. Retrieved 2007/10/03.