Cas no 4857-74-3 (5-Tert-butylbenzene-1,2,4-triol)

5-Tert-butylbenzene-1,2,4-triol structure
4857-74-3 structure
Product Name:5-Tert-butylbenzene-1,2,4-triol
CAS No:4857-74-3
MF:C10H14O3
MW:182.216363430023
CID:2693313
PubChem ID:12352771
Update Time:2025-04-21

5-Tert-butylbenzene-1,2,4-triol Chemical and Physical Properties

Names and Identifiers

    • 5-tert-butylbenzene-1,2,4-triol
    • SCHEMBL8609578
    • DTXSID40493457
    • 4857-74-3
    • 5-Tert-butylbenzene-1,2,4-triol
    • Inchi: 1S/C10H14O3/c1-10(2,3)6-4-8(12)9(13)5-7(6)11/h4-5,11-13H,1-3H3
    • InChI Key: WYPNQQXXKIHLFT-UHFFFAOYSA-N
    • SMILES: OC1C=C(C(=CC=1C(C)(C)C)O)O

Computed Properties

  • Exact Mass: 182.094294304Da
  • Monoisotopic Mass: 182.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 173
  • 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: 2.5
  • Topological Polar Surface Area: 60.7?2

5-Tert-butylbenzene-1,2,4-triol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxygen Solvents: Dimethyl sulfoxide ,  Water
Reference
5-tert-Butyl-2-hydroxy-1,4-benzoquinone
Yamamoto, Kana, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2014, 1, 1-3

5-Tert-butylbenzene-1,2,4-triol Raw materials

5-Tert-butylbenzene-1,2,4-triol Preparation Products

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