N-Succinimidyl 3-(Diphenylphosphino)propionate - ≥98% , CAS No.170278-50-9

CAS: 170278-50-9 Cat. No.: N159769 Molecular Weight: 355.33

GRADE & PURITY ≥98%

Synonyms

MFCD04114301 | 1-{[3-(Diphenylphosphanyl)propanoyl]oxy}pyrrolidine-2,5-dione | J-010611 | SY052991 | (2,5-dioxopyrrolidin-1-yl) 3-diphenylphosphanylpropanoate | 2,5-Dioxopyrrolidin-1-yl 3-(diphenylphosphanyl)propanoate | S0816 | QRRPSWGREIRROT-UHFFFAOYSA-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD04114301 | 1-{[3-(Diphenylphosphanyl)propanoyl]oxy}pyrrolidine-2, 5-dione | J-010611 | SY052991 | (2, 5-dioxopyrrolidin-1-yl) 3-diphenylphosphanylpropanoate | 2, 5-Dioxopyrrolidin-1-yl 3-(diphenylphosphanyl)propanoate | S0816 | QRRPSWGREIRROT-UHFFFAOYSA-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(=O)N(C1=O)OC(=O)CCP(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-diphenylphosphanylpropanoate
• InChIKey: QRRPSWGREIRROT-UHFFFAOYSA-N
• INCHI: 1S/C19H18NO4P/c21-17-11-12-18(22)20(17)24-19(23)13-14-25(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCP(C2=CC=CC=C2)C3=CC=CC=C3
• Molecular Weight: 355.33
• Reaxy-Rn: 7723820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7723820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides Organic phosphines and derivatives Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Phosphine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organophosphorus compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 355.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 355.097 Da
• Monoisotopic Mass: 355.097 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 464.000
• 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