2,4-DI(TERT-BUTYL)-6-NITROPHENOL

Base Information

• Chemical Name: 2,4-DI(TERT-BUTYL)-6-NITROPHENOL
• CAS No.: 20039-94-5
• Molecular Formula: C14H21 N O3
• Molecular Weight: 251.326
• Hs Code.: 2908999090
• Mol file: 20039-94-5.mol

Synonyms:Phenol,2,4-di-tert-butyl-6-nitro- (6CI,7CI,8CI); 2,4-Di-tert-butyl-6-nitrophenol;4,6-Di-tert-butyl-2-nitrophenol

Chemical Property of 2,4-DI(TERT-BUTYL)-6-NITROPHENOL

Chemical Property:

• Melting Point: 62.5-63 °C
• Boiling Point: 282.1±35.0 °C(Predicted)
• PKA: 8.89±0.38(Predicted)
• PSA: 66.05000
• Density: 1.078±0.06 g/cm3(Predicted)
• LogP: 4.41860

Purity/Quality:

97% ^*data from raw suppliers

2,4-Di(tert-butyl)-6-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-DI(TERT-BUTYL)-6-NITROPHENOL

There total 21 articles about 2,4-DI(TERT-BUTYL)-6-NITROPHENOL 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: 99.0%

2,4-di-tert-Butylphenol (96-76-4) → 2,4-di-tert-butyl-6-nitrophenol (20039-94-5)

Guidance literature:

With nitric acid; acetic acid; for 2h; Cooling with ice;

DOI:10.1021/acs.inorgchem.9b00784

Reference yield: 85.0%

tetrakis(2,6-difluorophenyl)porphyrinate(2-)iron(II) (162257-76-3) + 2,4-di-tert-Butylphenol (96-76-4) → hydroxo(meso-tetrakis(2,6-difluorophenyl)porphirinato)iron(III) (98716-00-8) + 2,4-di-tert-butyl-6-nitrophenol (20039-94-5)

Guidance literature:

tetrakis(2,6-difluorophenyl)porphyrinate^(2-)iron(II); With tetrahydrofuran; oxygen; at -80 ℃; Inert atmosphere;

2,4-di-tert-Butylphenol; With nitrogen(II) oxide; In tetrahydrofuran; at -80 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja904832j

Reference yield: 70.0%

potassium superoxide (12030-88-5) + 2,4-di-tert-Butylphenol (96-76-4) + C44H8CoF20N5O → 2,4-di-tert-butyl-6-nitrophenol (20039-94-5) + C44H9CoF20N4O

Guidance literature:

With 18-crown-6 ether; In dichloromethane; at -40 ℃; for 2h;

DOI:10.1016/j.jinorgbio.2021.111698

upstream raw materials:

2,4-di-tert-Butylphenol

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

2-methoxy-4,6-di-tert-butylphenol

2-(N,N-dimethylamino)-4,6-di-tert-butylphenol

Downstream raw materials:

2,4-di-tert-butyl-4,6-dinitrocyclohexa-2,5-dienone

2-tert-butyl-4,6-dinitrophenol

1,5-di-tert-butyl-2-methoxy-3-nitrobenzene

2,4-di-tert-butyl-6-{[(2-hydroxy-3,5-di-tert-butylphenyl)methylene]amino}phenol

Refernces

• 1、 Bertke, Jeffery A.,Kundu, Subrata,Mondal, Aditesh,Reddy, Kiran P.. "Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation". . . Retrieved 2020.
• 2、 Cao, Rui,Elrod, Lee Taylor,Lehane, Ryan L.,Kim, Eunsuk,Karlin, Kenneth D.. "A Peroxynitrite Dicopper Complex: Formation via Cu-NO and Cu-O2 Intermediates and Reactivity via O-O Cleavage Chemistry". . p. 16148 - 16158. Retrieved 2016.
• 3、 Kunert, Romain,Philouze, Christian,Jarjayes, Olivier,Thomas, Fabrice. "Stable M(II)-Radicals and Nickel(III) Complexes of a Bis(phenol) N-Heterocyclic Carbene Chelated to Group 10 Metal Ions". . p. 8030 - 8044. Retrieved 2019.
• 4、 Vol'eva, V. B.,Komissarova, N. L.,Belostotskaya, I. S.,Grishina, E. A.,Ershov, V. V.. "REGIOCONTROLLED NITRATION OF DI(TERT-BUTYL)PHENOLS". . p. 2088 - 2090. Retrieved 1991.
• 5、 Saha, Soumen,Ghosh, Somnath,Gogoi, Kuldeep,Deka, Hemanta,Mondal, Baishakhi,Mondal, Biplab. "Reaction of a Co(III)-Peroxo Complex and NO: Formation of a Putative Peroxynitrite Intermediate". . p. 10932 - 10938. Retrieved 2017.
• 6、 Kalita, Apurba,Kumar, Pankaj,Mondal, Biplab. "Reaction of a copper(ii)-nitrosyl complex with hydrogen peroxide: Putative formation of a copper(i)-peroxynitrite intermediate". . p. 4636 - 4638. Retrieved 2012.
• 7、 Saha, Soumen,Gogoi, Kuldeep,Mondal, Baishakhi,Ghosh, Somnath,Deka, Hemanta,Mondal, Biplab. "Reaction of a Nitrosyl Complex of Cobalt Porphyrin with Hydrogen Peroxide: Putative Formation of Peroxynitrite Intermediate". . p. 7781 - 7787. Retrieved 2017.
• 8、 Mazumdar, Rakesh,Mondal, Baishakhi,Saha, Shankhadeep,Samanta, Bapan,Mondal, Biplab. "Reaction of a {Co(NO)}8 complex with superoxide: Formation of a six coordinated [CoII(NO)(O2[rad]–)] species followed by peroxynitrite intermediate". . . Retrieved 2022/01/11.
• 9、 -. "Tridentate [ONO] tungsten coordination compound and optical application thereof". Paragraph 0027-0030. . Retrieved 2021/05/29.