Cas no 83816-59-5 (Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo-)

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- structure
83816-59-5 structure
Product Name:Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo-
CAS No:83816-59-5
MF:C11H13IO2
MW:304.124195814133
MDL:MFCD27929482
CID:583365
PubChem ID:12034504
Update Time:2024-10-26

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo-
    • 3-tert-butyl-2-hydroxy-5-iodobenzaldehyde
    • 3-(1,1-Dimethylethyl)-2-hydroxy-5-iodobenzaldehyde (ACI)
    • 3-t-Butyl-2-hydroxy-5-iodobenzaldehyde
    • 3-tert-Butyl-5-iodosalicylaldehyde
    • MFCD27929482
    • DB-165042
    • 83816-59-5
    • DTXSID00476241
    • RWBVEYVFTZFSSD-UHFFFAOYSA-N
    • 3-tert-butyl-5-iodosalicvlaldehyde
    • BS-52107
    • 3-(tert-butyl)-2-hydroxy-5-iodobenzaldehyde
    • CS-0132295
    • SCHEMBL211641
    • YSZC113
    • 3-(t-butyl)-2-hydroxy-5-iodobenzaldehyde
    • D83852
    • MDL: MFCD27929482
    • Inchi: 1S/C11H13IO2/c1-11(2,3)9-5-8(12)4-7(6-13)10(9)14/h4-6,14H,1-3H3
    • InChI Key: RWBVEYVFTZFSSD-UHFFFAOYSA-N
    • SMILES: O=CC1C(O)=C(C(C)(C)C)C=C(I)C=1

Computed Properties

  • Exact Mass: 303.99603g/mol
  • Monoisotopic Mass: 303.99603g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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: 3.9
  • Topological Polar Surface Area: 37.3?2

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- Pricemore >>

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Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iodine chloride Solvents: Acetic acid ;  rt; 5 h, reflux
Reference
Chiral Fe-Dendrimer-Catalyzed Domino Michael and Aldol Reactions of Chalcones with 1,4-Dithiane-2,5-diol
Kannan, Masanam; et al, ChemistrySelect, 2018, 3(3), 859-863

Production Method 2

Reaction Conditions
1.1 Reagents: Triethylamine ,  Magnesium chloride Solvents: Tetrahydrofuran ;  4 h, 85 °C
2.1 Reagents: Iodine chloride Solvents: Acetic acid ;  10 h, reflux
Reference
Polyfunctional Conjugated Microporous Polymers for Applications in Direct C-H Arylation of Unactivated Arenes and Aqueous Adsorption of Aromatic Amines
Luo, Kexin; et al, Chemical Research in Chinese Universities, 2020, 36(6), 1302-1309

Production Method 3

Reaction Conditions
1.1 Reagents: 2,6-Lutidine ,  Tin tetrachloride Solvents: Toluene ;  2 h, rt
1.2 10 h, 100 °C; 100 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
2.1 Reagents: Iodine chloride Solvents: Acetic acid ;  rt; 5 h, reflux
Reference
Chiral Fe-Dendrimer-Catalyzed Domino Michael and Aldol Reactions of Chalcones with 1,4-Dithiane-2,5-diol
Kannan, Masanam; et al, ChemistrySelect, 2018, 3(3), 859-863

Production Method 4

Reaction Conditions
1.1 Reagents: Iodine chloride Solvents: Acetic acid ;  rt; 3 h, rt → reflux
Reference
Self-Assembled Dinuclear Cobalt(II)-Salen Catalyst Through Hydrogen-Bonding and Its Application to Enantioselective Nitro-Aldol (Henry) Reaction
Park, Jongwoo; et al, Journal of the American Chemical Society, 2008, 130(49), 16484-16485

Production Method 5

Reaction Conditions
1.1 Reagents: Iodine chloride Solvents: Acetic acid ;  rt; 12 h, reflux
Reference
Efficient cycloaddition of CO2 and epoxides to cyclic carbonates using salen-based covalent organic framework as a heterogeneous catalyst
Tong, Yutao; et al, Journal of Porous Materials, 2022, 29(4), 1253-1263

Production Method 6

Reaction Conditions
1.1 Reagents: Triethylamine ,  Sulfuric acid magnesium salt (1:1) Solvents: Tetrahydrofuran ;  reflux
2.1 Reagents: Iodine chloride Solvents: Acetic acid ;  reflux
Reference
Synthesis of new chiral Mn(III)-salen complexes as recoverable and reusable homogeneous catalysts for the asymmetric epoxidation of styrenes and chromenes
Chaudhary, Pooja; et al, New Journal of Chemistry, 2022, 46(3), 1308-1318

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- Raw materials

Benzaldehyde, 3-(1,1-dimethylethyl)-2-hydroxy-5-iodo- Preparation Products

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