Diallyl N,N-diisopropylphosphoramidite - ≥90% , CAS No.126429-21-8

CAS: 126429-21-8 Cat. No.: D332864 Peso molecular: 245.3 Beilstein Registry Number: 4383514 Número EC: 625-730-2

GRADE & PURITY ≥90%

Synonyms

Diallyl N,N-di isopropyl phosphoramidite | DTXSID20405573 | N-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amine | di-allyl-N,N-diisopropylphosphoramidite | DIALLYLN,N-DIISOPROPYLPHOSPHORAMIDITE | FT-0756764 | AKOS015895011 | J-005381 | SCHEMBL386395

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Precursor involved in the synthesis of pharmacologically active molecules including:
Selective orally active S1P1 agonists
Water-soluble prodrugs of triazole CS-758 with antifungal activity
Fostriecin analogs as antitumor agents

Reactant involved in:
Phosphitylation of alcohols
Deallylation for the synthesis of nucleoside phosphoramidite
Posphitylation and stereoselective Pudovik rearrangement
Diallyl N,N-diisopropylphosphoramidite may be employed as phophorylating reagent in the following studies:
Preparation of peptide substrates.
Preparation of rhodamine dyes with phosphorylated CH2OH sites.
Synthesis of 3-[4-(bis-allyloxy-phosphoryloxy)-2(R)-hydroxy-3,3-dimethyl-butyrylamino]-thiopropionic acid-S-propylester.

Specifications

Sinónimos

Diallyl N, N-di isopropyl phosphoramidite | DTXSID20405573 | N-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amine | di-allyl-N, N-diisopropylphosphoramidite | DIALLYLN, N-DIISOPROPYLPHOSPHORAMIDITE | FT-0756764 | AKOS015895011 | J-005381 | SCHEMBL386395

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504763106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763106
• Sonrisas canónicas: CC(C)N(C(C)C)P(OCC=C)OCC=C
• IUPAC Name: N-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amine
• InChIKey: QBLCHHSGJTUNSJ-UHFFFAOYSA-N
• INCHI: 1S/C12H24NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3
• Isómeros SMILES: CC(C)N(C(C)C)P(OCC=C)OCC=C
• WGK Alemania: 3
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 245.3
• Beilstein: 4383514
• Reaxy-Rn: 4383514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4383514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
• 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

• Índice de refracción: n20D1.46 (lit.)
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 32 °C
• Punto de ebullición (°C): 130° C (lit.)
• Punto de fusión (°C): 25.69° C (Predicted)
• Peso molecular: 245.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 245.154 Da
• Monoisotopic Mass: 245.154 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 187.000
• 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