N-Benzylphthalimide - ≥98%(HPLC) , CAS No.2142-01-0

CAS: 2142-01-0 Cat. No.: N158874 Formula: C₁₅H₁₁NO₂ Peso molecolare: 237.26 Numero EC: 218-395-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

A815328 | 2-Mercaptoanisole | Cambridge id 5100224 | NSC 2771 | Triazene, 3,3-dimethyl-1-(p-chlorophenyl)- | SR-01000390068 | SY051983 | 2-Benzyl-isoindole-1,3-dione | 2-Benzylisoindole-1,3-dione | 4-[(2-chloro-4-nitro-phenyl)methylcarbamoylamino]benzenes

Storage

Room temperature

Shipped In

Normal

Panoramica

Description
N-Benzylphthalimide (NBPT), also known as 2-benzylisoindoline-1,3-dione, is an N-substituted phthalimide. It has been prepared by reacting phthalic anhydride with benzyl amine in glacial acetic acid. Vibrational spectra of NBPT has been recorded and assigned. NBPT is a roof-shaped molecule with a planar cyclic imide and a phenyl ring connected by a methylene group. Crystal structure of N-benzylphthalimide has parallel layers of phthalimides stack along the a axis. Application
N-Benzylphthalimide may be used in the following syntheses: 2-benzyl-1,1,3,3-tetraphenylisoindoline tailor-made highly fluorous porphyrin derivatives N-benzylisoindole

Specifications

Sinonimi

A815328 | 2-Mercaptoanisole | Cambridge id 5100224 | NSC 2771 | Triazene, 3,3-dimethyl-1-(p-chlorophenyl)- | SR-01000390068 | SY051983 | 2-Benzyl-isoindole-1,3-dione | 2-Benzylisoindole-1,3-dione | 4-[(2-chloro-4-nitro-phenyl)methylcarbamoylamino]benzenes

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)

Nomi e identificatori

Pubchem Sid

488185023

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185023

Sorrisi canonici

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

IUPAC Name

2-benzylisoindole-1,3-dione

InChIKey

WITXFYCLPDFRNM-UHFFFAOYSA-N

INCHI

1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2

Isomeri SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

WGK Germania

3

Peso molecolare

237.26

Reaxy-Rn

193913

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=193913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzene and substituted derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• External Descriptors: isoindoles

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

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 118 °C
• Peso molecolare: 237.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 237.079 Da
• Monoisotopic Mass: 237.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 322.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2142-01-0, the molecular formula is C15H11NO2, and the molecular weight is 237.26 g/mol. InChIKey WITXFYCLPDFRNM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.