4-hidroxi-1-piperidinocarboxilato de bencilo - ≥97% , CAS No.95798-23-5

CAS: 95798-23-5 Cat. No.: B121581 Peso molecular: 235.28 Número EC: 628-802-1

GRADE & PURITY ≥97%

Synonyms

4-hydroxy-N-(benzyloxycarbonyl)piperidine | AKOS009157555 | DTXSID60383265 | MB02152 | 1-Carbobenzoxy-4-piperidinol | B4869 | N-CBZ-4-HYDROXYPIPERIDINE | 1-CBZ-4-HYDROXYPIPERIDINE | SY010998 | Benzyl 4-hydroxy-1-piperidinecarboxylate | benzyl 4hydroxy-1-p

Storage

Room temperature

Shipped In

Normal

Descripción general

Puede utilizarse como reactivo para sintetizar: 1. Antagonistas P2Y12 biodisponibles por vía oral que pueden inhibir la agregación plaquetaria 2. Derivados de piperidina 3. Barras de moléculas 4. Híbridos de oxazolidinona-quinolona con actividad antibacteriana 5. Fármaco cíclico de peptidomiméticos RGD 6. Agente oxidante de accoholes

Specifications

Sinónimos

4-hydroxy-N-(benzyloxycarbonyl)piperidine | AKOS009157555 | DTXSID60383265 | MB02152 | 1-Carbobenzoxy-4-piperidinol | B4869 | N-CBZ-4-HYDROXYPIPERIDINE | 1-CBZ-4-HYDROXYPIPERIDINE | SY010998 | Benzyl 4-hydroxy-1-piperidinecarboxylate | benzyl 4hydroxy-1-p

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193987
• Sonrisas canónicas: C1CN(CCC1O)C(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl 4-hydroxypiperidine-1-carboxylate
• InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
• Isómeros SMILES: C1CN(CCC1O)C(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 235.28
• Reaxy-Rn: 1467600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1467600&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidinecarboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

• Índice de refracción: 1.543
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 167°C/0.2mmHg
• Peso molecular: 235.280 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 235.121 Da
• Monoisotopic Mass: 235.121 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 243.000
• 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