p-Anisil - ≥98% , CAS No.1226-42-2

CAS: 1226-42-2 Cat. No.: P160523 Summenformel: C₁₆H₁₄O₄ Molekulargewicht: 270.28 Beilstein Registry Number: 531345 EG-Nummer: 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

Normal

Übersicht

Mesomorphic properties of a substituted bis(dithiolene)nickel complex derived from 4,4′-dimethoxybenzil has been reported. Diffuse scattering in 4,4′-dimethoxybenzil has been studied via Monte Carlo computer-simulation model.

Anisil is a biochemical utilized in the preparation of substituted bis(dithiolene)nickel complex. Further, it is used in the preparation of 3-[4,5-bis-(4-methoxy-phenyl)-1H-imidazol-2-yl]-pyridine by reacting with pyridine-3-carbaldehyde.

Specifications

Synonyme

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 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754602
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754602
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
• WGK Deutschland: 3
• PubChem CID: 71043
• Molekulargewicht: 270.28
• Beilstein: 531345
• Reaxy-Rn: 531345

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Schmelzpunkt (°C): 132-135°C
• Molekulargewicht: 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