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

CAS: 126429-21-8 Cat. No.: D332864 Molecular Weight: 245.3 Beilstein Registry Number: 4383514 EC Number: 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

Overview

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

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

Specifications & Purity

≥90%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504763106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763106
• Canonical Smiles: 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
• Isomeric SMILES: CC(C)N(C(C)C)P(OCC=C)OCC=C
• WGK Germany: 3
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 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
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20D1.46 (lit.)
• Flash Point(°F): 89.6 °F
• Flash Point(°C): 32 °C
• Boil Point(°C): 130° C (lit.)
• Melt Point(°C): 25.69° C (Predicted)
• Molecular Weight: 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