(tert-Butoxicarbonilmetileno)trifenilfosforano - ≥98% , CAS No.35000-38-5

CAS: 35000-38-5 Cat. No.: I169778 Peso molecular: 376.43 Número EC: 609-052-4

GRADE & PURITY ≥98%

Synonyms

(tert.-butoxicarbonilmetileno)-trifenilfosforano | t-butiloxicarbonilmetilenetrifenilfosforano | AO-801/41077501 | acetato de terc-butil(trifenilfosforanilideno)| ZWZUFQPXYVYAFO-UHFFFAOYSA-N | EC 412-880-7 | Ácido colest-5-en-3-b-il esteárico | (tert

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Reactivo de Wittig utilizado en la síntesis de inhibidores de aldosa reductasa, un derivado de podofilotoxina y tautomicina. Reactivo de Wittig versátil utilizado en química médica.

Specifications

Sinónimos

(tert.-butoxicarbonilmetileno)-trifenilfosforano | t-butiloxicarbonilmetilenetrifenilfosforano | AO-801/41077501 | acetato de terc-butil(trifenilfosforanilideno) | ZWZUFQPXYVYAFO-UHFFFAOYSA-N | EC 412-880-7 | Ácido colest-5-en-3-b-il esteárico | (tert

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: tert-butyl 2-(triphenyl-λ5-phosphanylidene)acetate
• InChIKey: ZWZUFQPXYVYAFO-UHFFFAOYSA-N
• INCHI: 1S/C24H25O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Alemania: 3
• Peso molecular: 376.43
• Reaxy-Rn: 2759875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2759875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

Propiedades químicas y físicas

• Solubilidad: Sparingly soluble in water.
• Punto de fusión (°C): 146-155℃
• Peso molecular: 376.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 376.159 Da
• Monoisotopic Mass: 376.159 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 475.000
• 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