N-Boc-p-fenilendiamina - ≥95%(HPLC) , CAS No.71026-66-9

CAS: 71026-66-9 Cat. No.: B131607 Peso molecular: 208.26 Beilstein Registry Number: 2969618 Número EC: 275-132-7

GRADE & PURITY ≥95%(HPLC)

Synonyms

tert-butyl N-(4-aminophenyl)carbamate | tert-buty-4-aminophenylcarbamate | 4-tert-butoxycarbonylaminoaniline | N-(tert-Butoxycarbonyl)benzene-1,4-diaMine | EINECS 275-132-7 | MFCD00043022 | tert-Butyl (4-aminophenyl)carbamate | DS-15419 | N-t-butoxycarbon

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Aplicación del producto
La N-Boc-p-fenilendiamina puede utilizarse como:
Un reactivo para preparar colorantes basados en monoimida de perileno para aplicaciones de células solares sensibilizadas con colorantes.
Material de partida para sintetizar marcos orgánicos covalentes, que se utilizan como membranas de intercambio de protones para aplicaciones de pilas de combustible de hidrógeno.
Reactivo en la síntesis de ácidos hidroxámicos derivados de bestatina como potentes inhibidores pan-HDAC.

Specifications

Sinónimos

tert-butyl N-(4-aminophenyl)carbamate | tert-buty-4-aminophenylcarbamate | 4-tert-butoxycarbonylaminoaniline | N-(tert-Butoxycarbonyl)benzene-1, 4-diaMine | EINECS 275-132-7 | MFCD00043022 | tert-Butyl (4-aminophenyl)carbamate | DS-15419 | N-t-butoxycarbon

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488191122
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191122
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
• IUPAC Name: tert-butyl N-(4-aminophenyl)carbamate
• InChIKey: WIVYTYZCVWHWSH-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
• WGK Alemania: 3
• Peso molecular: 208.26
• Beilstein: 2969618
• Reaxy-Rn: 2969618
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2969618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Aniline and substituted anilines Carbamate esters Organic carbonic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Aniline or substituted anilines - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• 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
• Sensibilidad: air sensitive
• Punto de fusión (°C): 116 °C
• Peso molecular: 208.260 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.121 Da
• Monoisotopic Mass: 208.121 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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