p-Anisil - ≥98% , CAS No.1226-42-2

CAS: 1226-42-2 Cat. No.: P160523 Formula: C₁₆H₁₄O₄ Peso molecolare: 270.28 Beilstein Registry Number: 531345 Numero EC: 214-960-5 PubChem CID: 71043

GRADE & PURITY ≥98%

Synonyms

A1028 | EN300-16758 | 4,4'-Dimethoxybenzil | 4,4'-Dimethoxydibenzoyl | p-Anisil | InChI=1/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H | JMC505727 Compound 2 | F16181 | Anisil | S5310 | Gentamicine | BCP26051 | W-108428 |

Storage

Room temperature

Shipped In

Normale

Panoramica

Sono state riportate le proprietà mesomorfiche di un complesso di bis(ditiolene) nichel sostituito derivato dal 4,4′-dimetossibenzil. La diffusione in 4,4′-dimetossibenzile è stata studiata mediante un modello di simulazione al computer Monte Carlo.

L'anisil è un prodotto biochimico utilizzato per la preparazione di complessi di bis(ditiolene)nichel sostituiti. Inoltre, è utilizzato nella preparazione di 3-[4,5-bis-(4-metossi-fenil)-1H-imidazol-2-il]-piridina reagendo con la piridina-3-carbaldeide.

Specifications

Sinonimi

A1028 | EN300-16758 | 4,4'-Dimethoxybenzil | 4,4'-Dimethoxydibenzoyl | p-Anisil | InChI=1/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H | JMC505727 Compound 2 | F16181 | Anisil | S5310 | Gentamicine | BCP26051 | W-108428 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504754602
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754602
• Sorrisi canonici: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
• IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione
• InChIKey: YNANGXWUZWWFKX-UHFFFAOYSA-N
• INCHI: 1S/C16H14O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
• Isomeri SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
• WGK Germania: 3
• PubChem CID: 71043
• Peso molecolare: 270.28
• Beilstein: 531345
• Reaxy-Rn: 531345

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Alpha-diketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-diketone - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Punto di fusione (°C): 132-135°C
• Peso molecolare: 270.280 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 302.000
• 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