N-BOC-IMINO-(TRIFENIL)FOSFORANO - ≥98% , CAS No.68014-21-1

CAS: 68014-21-1 Cat. No.: N194567 Peso molecular: 377.42 Número EC: 672-406-1

GRADE & PURITY ≥98%

Synonyms

AKOS015899721 | 2-Methyl-2-propanyl (triphenylphosphoranylidene)carbamate | MFCD00798174 | N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane | (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester | N-(triphenylphosphoranylidene)-carbamic acid 1,1-d

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

AKOS015899721 | 2-Methyl-2-propanyl (triphenylphosphoranylidene)carbamate | MFCD00798174 | N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane | (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester | N-(triphenylphosphoranylidene)-carbamic acid 1, 1-d

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761487
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761487
• Sonrisas canónicas: CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: tert-butyl N-(triphenyl-λ5-phosphanylidene)carbamate
• InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N
• INCHI: 1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• Peso molecular: 377.42
• Reaxy-Rn: 2884955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2884955&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: Organic carbonic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen 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: Soluble in Methanol
• Punto de fusión (°C): 149 °C
• Peso molecular: 377.400 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 377.154 Da
• Monoisotopic Mass: 377.154 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 481.000
• 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