3,5-Di-tert-butylsalicylaldehyde - ≥98% , CAS No.37942-07-7

CAS: 37942-07-7 Cat. No.: D106390 Peso molecular: 234.33 Beilstein Registry Number: 8(4)601 Número EC: 629-676-0

GRADE & PURITY ≥98%

Synonyms

3,5-tert-Butyl-2-hydroxybenzaldehyde | Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-2-hydroxy- | FT-0614729 | D2646 | Q4634088 | 3,5-di-tert-butyl salicylaldehyde | 3,5-Di-tert-butyl-2-hydroxybenzaldehyde, 99% | MFCD00191998 | PS-7663 | Z104503480 | 3,5-Di-te

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

3,5-Di-tert-butyl-2-hydroxybenzaldehyde for synthesis

• Mn(III)-salen complex and its diamino precursor 5,6-diamino-5,6-dideoxy-1,2-O-isopropylene-3-O-methyl-β- L-ribofuranose

• Chiral Schiff base ligand for enantioselective copper-catalyzed addition of phenylacetylene to imines

• Chiral oxazolidine ligand for di-selective addition of diethyl zinc to aldehydes

• Compound of tin Schiff base and histidine analog

Specifications

Sinónimos

3, 5-tert-Butyl-2-hydroxybenzaldehyde | Benzaldehyde, 3, 5-bis(1, 1-dimethylethyl)-2-hydroxy- | FT-0614729 | D2646 | Q4634088 | 3, 5-di-tert-butyl salicylaldehyde | 3, 5-Di-tert-butyl-2-hydroxybenzaldehyde, 99% | MFCD00191998 | PS-7663 | Z104503480 | 3, 5-Di-te

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191075
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191075
• Sonrisas canónicas: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=O
• IUPAC Name: 3,5-ditert-butyl-2-hydroxybenzaldehyde
• InChIKey: RRIQVLZDOZPJTH-UHFFFAOYSA-N
• INCHI: 1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
• Isómeros SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=O
• WGK Alemania: 3
• Peso molecular: 234.33
• Beilstein: 8(4)601
• Reaxy-Rn: 1877810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877810&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Phenylpropanes Benzoyl derivatives Phenols Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Phenylpropane - Benzoyl - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and methanol.
• Sensibilidad: Air Sensitive.
• Punto de fusión (°C): 58-60°C
• Peso molecular: 234.330 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 234.162 Da
• Monoisotopic Mass: 234.162 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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