2,6-Di-tert-butyl-4-nitrosophenol

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-nitrosophenol
• CAS No.: 955-03-3
• Molecular Formula: C14H21NO2
• Molecular Weight: 235.326
• Hs Code.: 2908999090
• European Community (EC) Number: 213-470-9,681-442-7
• NSC Number: 677540
• DSSTox Substance ID: DTXSID7061350
• Nikkaji Number: J71.617K,J81.818F
• Wikidata: Q65653351
• Mol file: 955-03-3.mol

Synonyms:2,6-Di-tert-butyl-4-nitrosophenol;955-03-3;15052-28-5;2,6-di-tert-butyl-p-benzoquinone-4-oxime;2,6-Ditert-butyl-4-nitrosophenol;Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitroso-;2,6-Di(tert-butyl)-4-nitrosophenol;2,6-Di-tert-butyl-4-(hydroxyimino)cyclohexa-2,5-dienone;Phenol, 2,6-di-tert-butyl-4-nitroso-;EINECS 213-470-9;NSC677540;BRN 1881205;Phenol,2,6-bis(1,1-dimethylethyl)-4-nitroso-;CBDivE_003144;SCHEMBL1031030;SCHEMBL7188296;DTXSID7061350;2,6-di-t-butyl-4-nitrosophenol;4-Nitroso-2,6-di-t-butylphenol;2,6-ditert.butyl-4-nitrosophenol;HMS1577N21;4-nitroso-2,6-di-t-butyl-phenol;2,6-di tert.butyl-4-nitrosophenol;2,6-ditert-butyl-4-nitroso-phenol;4-nitroso-2,6-di-tert-butylphenol;MFCD00026290;MFCD00135757;STK973257;Quinone-4-oxime, 2,6-di-t-butyl-;AKOS001573843;AKOS002221428;NSC-677540;3,5-dihydroxy-4,6,7-trimethoxyflavone;LS-04492;2,6-di-t-butyl-1,4-benzoquinone 4-oxime;LS-104073;2,6-Ditert-butylbenzo-1,4-quinone 4-oxime;FT-0610525;FT-0610730;2,6-di-tert-butylbenzo-1,4-quinone 4-oxime;2,6-Ditert-butylbenzo-1,4-quinone 4-oxime #;Q65653351;2,6-Di-tert-butyl-4-hydroxyimino-2,5-cyclohexadien-1-one;4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid;piperazine

Chemical Property of 2,6-Di-tert-butyl-4-nitrosophenol

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 211-213 °C
• Refractive Index: 1.502
• Boiling Point: 316.6 °C at 760mmHg
• Flash Point: 145.3 °C
• PSA: 49.66000
• Density: 1 g/cm³
• LogP: 4.38510
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.157228913
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Di(tert-butyl)-4-nitrosophenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, T
• Hazard Codes: F,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=O

Technology Process of 2,6-Di-tert-butyl-4-nitrosophenol

There total 4 articles about 2,6-Di-tert-butyl-4-nitrosophenol 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: 91.7%

2,6-di-tert-butylphenol (128-39-2) → 4-nitroso-2,6-di-tert-butylphenol (955-03-3)

Guidance literature:

With acetic anhydride; sodium nitrite; In methanol; water; at 15 - 30 ℃; for 0.5h; Reagent/catalyst; Solvent;

Reference yield:

2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) → 4-nitroso-2,6-di-tert-butylphenol (955-03-3)

Guidance literature:

With hydroxylamine;

DOI:10.1021/ja00241a007

Reference yield:

2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 4-nitroso-2,6-di-tert-butylphenol (955-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 16.2 percent / chromic anhydride

2: hydroxylamine

With chromium(VI) oxide; hydroxylamine;

DOI:10.1021/ja00241a007

upstream raw materials:

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

2,6-di-tert-butylphenol

2,6-di-tert-butyl-4-methyl-phenol

Downstream raw materials:

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

[[[N-[[3,5-bis[1,1-dimethylethyl]-4-oxo-2,5-cyclohexadien-1-ylideneaminooxycarbonyl]]-N-methylaminothio]]]methylcarbamic fluoride

N-[[[N-[[N-[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidenaminooxycarbonyl]-N-methylaminothio]]-N-methylaminocarbonyloxy]]]ethanimidothioic acid, methyl ester

N-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3,4,5-trimethoxy-benzamide

Refernces

• 1、 -. "Synthetic method of antioxidant 565". Paragraph 0046-0048; 0055-0057; 0064-0066. . Retrieved 2019/04/29.
• 2、 Kjaer, A. M.,Ulstrup, J.. "Solvent Bandwidth Dependence and Band Asymmetry Features of Charge-Transfer Transitions in N-Pyridinium Phenolates". . p. 1934 - 1942. Retrieved 2007/10/02.