Cas no 84501-28-0 (4-tert-Butyl-2,6-diformylphenol)

4-tert-Butyl-2,6-diformylphenol is a phenolic compound featuring two formyl groups at the 2- and 6-positions and a tert-butyl substituent at the 4-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of Schiff bases, ligands for metal coordination, and macrocyclic compounds. The tert-butyl group enhances steric stability, while the formyl groups provide versatile functionalization sites. Its high purity and well-defined molecular architecture ensure consistent performance in research and industrial applications, such as catalysis and material science. The compound’s stability under standard conditions further supports its utility in synthetic workflows.
4-tert-Butyl-2,6-diformylphenol structure
84501-28-0 structure
Product Name:4-tert-Butyl-2,6-diformylphenol
CAS No:84501-28-0
MF:C12H14O3
MW:206.237763881683
MDL:MFCD01567135
CID:728909
PubChem ID:24879380
Update Time:2025-05-27

4-tert-Butyl-2,6-diformylphenol Chemical and Physical Properties

Names and Identifiers

    • 5-(tert-Butyl)-2-hydroxyisophthalaldehyde
    • 4-tert-Butyl-2,6-diformylphenol
    • 1,3-Benzenedicarboxaldehyde,5-(1,1-dimethylethyl)-2-hydroxy-
    • 5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
    • 1,3-Benzenedicarboxaldehyde, 5-(1,1-dimethylethyl)-2-hydroxy-
    • 2,6-diformyl-4-t-butylphenol
    • 2,6-diformyl-4-tert-butylphenol
    • SBB093662
    • 0458AF
    • TRA0002617
    • OR29399
    • 5-tert-butyl-2-hydroxyisophthalaldehyde
    • AK123624
    • S
    • 5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedicarboxaldehyde (ACI)
    • Isophthalaldehyde, 5-tert-butyl-2-hydroxy- (6CI)
    • 2-Hydroxy-5-tert-butyl-1,3-benzenedicarboxaldehyde
    • 2-Hydroxy-5-tert-butylbenzene-1,3-dicarbaldehyde
    • 2-Hydroxy-5-tert-butylisophthaldehyde
    • 4-tert-Butyl-2,6-pyridinedicarboxaldehyde
    • 5-tert-Butyl-2-hydroxy-1,3-benzenedicarbaldehyde
    • 5-tert-Butyl-2-hydroxybenzene-1,3-dicarboxaldehyde
    • YSZC065
    • SY101535
    • SCHEMBL419690
    • DTXSID90383990
    • ALBB-032712
    • AKOS004120632
    • D70108
    • 84501-28-0
    • MFCD01567135
    • CS-W015327
    • 4-tert-Butyl-2,6-diformylphenol, 96%
    • DB-076049
    • 11N-950
    • J-516408
    • MDL： MFCD01567135
    • Inchi： 1S/C12H14O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-7,15H,1-3H3
    • InChI Key： WQNTWZJPCLUXQC-UHFFFAOYSA-N
    • SMILES： O=CC1C(O)=C(C=O)C=C(C(C)(C)C)C=1

Computed Properties

  • Exact Mass: 206.09400
  • Monoisotopic Mass: 206.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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
  • Topological Polar Surface Area: 54.4
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.7

Experimental Properties

  • Color/Form: Yellow solid
  • Density: 1.159
  • Melting Point: 99-103?°C (lit.)
  • Boiling Point: 267.8°C at 760 mmHg
  • Flash Point: 130°C
  • Refractive Index: 1.589
  • PSA: 54.37000
  • LogP: 2.31470
  • Solubility: Not determined

4-tert-Butyl-2,6-diformylphenol Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R36/37/38

4-tert-Butyl-2,6-diformylphenol Customs Data

  • HS CODE：2912499000
  • Customs Data：

    China Customs Code:

    2912499000

    Overview:

    2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

4-tert-Butyl-2,6-diformylphenol Pricemore >>

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4-tert-Butyl-2,6-diformylphenol Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Trifluoroacetic acid ;  24 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  10 min, reflux
Reference
Selective Tracking of Lysosomal Cu2+ Ions Using Simultaneous Target- and Location-Activated Fluorescent Nanoprobes
Li, Yinhui; et al, Analytical Chemistry (Washington, 2015, 87(1), 584-591

Production Method 2

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform
Reference
An improved oxidation approach for preparing 4-substituted-2,6-diformylphenol by manganese(IV) dioxide
Huang, Wei; et al, Synthetic Communications, 2000, 30(9), 1555-1561

Production Method 3

Reaction Conditions
1.1 Reagents: Carbon dioxide ,  Sodium hydroxide
1.2 Reagents: Manganese oxide (MnO2) Solvents: Chloroform
Reference
Intramolecular hydrogen bond self-template synthesis of some new Robson-type macrocyclic ligands
Wu, Jin Cai; et al, Chinese Chemical Letters, 2001, 12(9), 757-760

Production Method 4

Reaction Conditions
1.1 Reagents: Hexamethylenetetramine Solvents: Acetic acid ;  rt; 24 h, rt; 24 h, reflux
Reference
Antioxidant, DNA interaction, molecular docking and cytotoxicity studies of aminoethylpiperazine-containing macrocyclic binuclear copper(II) complexes
Karthick, C.; et al, Applied Organometallic Chemistry, 2017, 31(8),

Production Method 5

Reaction Conditions
1.1 Solvents: Water
1.2 Reagents: Acetic acid
Reference
Conversion of some substituted phenols to the corresponding masked thiophenols, synthesis of a dinickel(II) dithiolate macrocyclic complex and isolation of some metal- and ligand-based oxidation products
Brooker, Sally; et al, Dalton, 2000, (18), 3113-3121

Production Method 6

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  24 h, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  Water ;  overnight, rt
Reference
Periphery-Substituted [4+6] Salicylbisimine Cage Compounds with Exceptional High Surface Areas: Influence of the Molecular Structure on Nitrogen Sorption Properties
Schneider, Markus W.; et al, Chemistry - A European Journal, 2012, 18(3), 836-847

Production Method 7

Reaction Conditions
1.1 Solvents: Trifluoroacetic acid ;  18 h, 145 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  2 h, rt
Reference
Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids
Jones, Rebecca L.; et al, Physical Chemistry Chemical Physics, 2023, 25(22), 15463-15468

Production Method 8

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  2 h, rt
Reference
Mechanochemical Duff Reaction in Solid Phase for Easy Access to Mono- and Di-formyl Electron-Rich Arenes
Saha, Soumik; et al, Journal of Organic Chemistry, 2023, 88(14), 10002-10013

Production Method 9

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  8 h, reflux
Reference
A novel calixsalen macrocycle: metal sensing behavior for Zn2+ and intracellular imaging application
Fu, Yong; et al, Tetrahedron Letters, 2012, 53(7), 804-807

Production Method 10

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  30 min, < 20 °C
Reference
synthesis of 2,6-diformyl-4-tert-butylphenol by ultrasonic wave
Wei, Junfa; et al, Huaxue Tongbao, 2003, 66(10),

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  heated; 5 d, 30 - 40 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified
2.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  8 h, reflux
Reference
A novel calixsalen macrocycle: metal sensing behavior for Zn2+ and intracellular imaging application
Fu, Yong; et al, Tetrahedron Letters, 2012, 53(7), 804-807

Production Method 12

Reaction Conditions
Reference
Chan-Evans-Lam C-N Coupling Promoted by a Dinuclear Positively Charged Cu(II) Complex. Catalytic Performance and Some Evidence for the Mechanism of CEL Reaction Obviating Cu(III)/Cu(I) Catalytic Cycle
Akatyev, Nikolay; et al, ChemCatChem, 2020, 12(11), 3010-3021

Production Method 13

Reaction Conditions
Reference
A Covalent and Modular Synthesis of Homo- and Hetero[n]rotaxanes
Cornelissen, Milo D.; et al, Journal of Organic Chemistry, 2020, 85(5), 3146-3159

Production Method 14

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  30 min, < 20 °C; 5 h, rt
2.1 Reagents: Sodium hydroxide Solvents: Water ;  4 - 6 d, rt
3.1 Reagents: Manganese oxide (MnO2) Solvents: Chloroform ;  30 min, < 20 °C
Reference
synthesis of 2,6-diformyl-4-tert-butylphenol by ultrasonic wave
Wei, Junfa; et al, Huaxue Tongbao, 2003, 66(10),

4-tert-Butyl-2,6-diformylphenol Raw materials

4-tert-Butyl-2,6-diformylphenol Preparation Products

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