Cas no 20039-94-5 (2,4-Di-Tert-Butyl-6-Nitrophenol)

2,4-Di-Tert-Butyl-6-Nitrophenol structure
20039-94-5 structure
Product Name:2,4-Di-Tert-Butyl-6-Nitrophenol
CAS No:20039-94-5
MF:C14H21NO3
MW:251.321444272995
MDL:MFCD00026282
CID:286079
PubChem ID:616897
Update Time:2025-11-06

2,4-Di-Tert-Butyl-6-Nitrophenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,2,4-bis(1,1-dimethylethyl)-6-nitro-
    • 2,4-BIS(TERT-BUTYL)-6-NITROPHENOL
    • 2,4-ditert-butyl-6-nitrophenol
    • 2,4-di(tert-butyl)-6-nitrophenol
    • 2,4-di-t-butyl-6-nitrophenol
    • 2,4-di-tert-butyl-6-nitrophenol
    • 2,4-di-tert-butyl-6-nitro-phenol
    • 2,4-ditertiarybutyl-6-nitrophenol
    • 2-nitro-4,6-di-tert-butylphenol
    • 4,6-di-tert-butyl-2-nitrophenol
    • AC1LDE56
    • AC1Q1LU7
    • AC1Q1LU8
    • CTK4E3117
    • Oprea1_424164
    • FT-0747825
    • Phenol, 2,4-bis(1,1-dimethylethyl)-6-nitro-
    • AS-8020
    • Z442015012
    • 2,4-Ditert-butyl-6-nitrophenol #
    • SCHEMBL397532
    • 20039-94-5
    • MFCD00026282
    • J-012969
    • CS-0216452
    • AKOS005157635
    • Phenol, 2,4-di-t-butyl-6-nitro-
    • EN300-43568
    • 6-nitro-2,4-di(t-butyl)phenol
    • 2, 4-ditert-butyl-6-nitrophenol
    • W16005
    • DTXSID60346991
    • NS00112512
    • DB-030591
    • 2,4-Di-Tert-Butyl-6-Nitrophenol
    • MDL： MFCD00026282
    • Inchi： 1S/C14H21NO3/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(8-9)15(17)18/h7-8,16H,1-6H3
    • InChI Key： GVKJWGRAPDVEMC-UHFFFAOYSA-N
    • SMILES： OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 251.15223
  • Monoisotopic Mass: 251.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • PSA: 63.37

2,4-Di-Tert-Butyl-6-Nitrophenol Pricemore >>

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Chemenu
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abcr
AB238117-250 mg
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abcr
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2,4-Di-Tert-Butyl-6-Nitrophenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid ;  5 min, rt; 2.5 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 8 - 9, rt
1.3 Reagents: Potassium hydroxide Solvents: Methanol ;  2 h, rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  pH 2 - 3, rt
Reference
Synthesis of Ivacaftor-a cystic fibrosis drug
Shang, Qing-zi, Jingxi Huagong Zhongjianti, 2014, 44(2), 28-33

2,4-Di-Tert-Butyl-6-Nitrophenol Raw materials

2,4-Di-Tert-Butyl-6-Nitrophenol Preparation Products

2,4-Di-Tert-Butyl-6-Nitrophenol Related Literature

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