ácido 4-(N-Boc-amino)fenilborónico - ≥97% , CAS No.380430-49-9

CAS: 380430-49-9 Cat. No.: B103152 Peso molecular: 237.06 Número EC: 670-415-5

GRADE & PURITY ≥97%

Synonyms

4-(tert-butyloxycarbonylamino)phenylboronic acid | NCGC00249486-01 | J-513863 | HY-W000923 | [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic Acid | SCHEMBL59499 | BCP13306 | {4-[(tert-butoxycarbonyl) amino]phenyl} boronic acid | 4-Aminobenzenebor

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-(tert-butyloxycarbonylamino)phenylboronic acid | NCGC00249486-01 | J-513863 | HY-W000923 | [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic Acid | SCHEMBL59499 | BCP13306 | {4-[(tert-butoxycarbonyl) amino]phenyl} boronic acid | 4-Aminobenzenebor

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194477
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194477
• Sonrisas canónicas: B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O
• IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
• InChIKey: UBVOLHQIEQVXGM-UHFFFAOYSA-N
• INCHI: 1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
• Isómeros SMILES: B(C1=CC=C(C=C1)NC(=O)OC(C)(C)C)(O)O
• WGK Alemania: 3
• Peso molecular: 237.06
• Reaxy-Rn: 9769422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9769422&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: Carbamate esters Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Carbamic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - 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
• Punto de fusión (°C): 199-204°C
• Peso molecular: 237.060 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 237.117 Da
• Monoisotopic Mass: 237.117 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 257.000
• 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

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